Chemical Compound

(3S,4S,7S,13S)-N-((2S)-1-((2S)-6-amino-1-((E)-1-(2-(((1S,4S,7S,10S,14S,17E,23S)-7-benzyl-3,6,9,15,21,24-hexahydroxy-4-(2-hydroxy-2-iminoethyl)-23-((4-hydroxyphenyl)methyl)-12,19-dithia-2,5,8,16,22,25-hexazabicyclo(12.6.5)pentacosa-2,5,8,15,17,21,24-heptaen-10-yl)imino)-2-hydroxyethyl)imino-1-hydroxybut-2-en-2-yl)imino-1-hydroxyhexan-2-yl)imino-1-hydroxypropan-2-yl)-3-((((3S,6S,9S,12S,15S)-12-(4-aminobutyl)-15-(((2S)-2-(((2S,3S)-2-amino-1-hydroxy-3-methylpentylidene)amino)-1-hydroxypropylidene)amino)-9-benzyl-5,8,11,14-tetrahydroxy-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl)-hydroxymethylidene)amino)-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo(11.3.0)hexadeca-8,11-diene-7-carboximidic acid

CAS Registry Number 117978-77-5
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(3S,4S,7S,13S)-N-((2S)-1-((2S)-6-amino-1-((E)-1-(2-(((1S,4S,7S,10S,14S,17E,23S)-7-benzyl-3,6,9,15,21,24-hexahydroxy-4-(2-hydroxy-2-iminoethyl)-23-((4-hydroxyphenyl)methyl)-12,19-dithia-2,5,8,16,22,25-hexazabicyclo(12.6.5)pentacosa-2,5,8,15,17,21,24-heptaen-10-yl)imino)-2-hydroxyethyl)imino-1-hydroxybut-2-en-2-yl)imino-1-hydroxyhexan-2-yl)imino-1-hydroxypropan-2-yl)-3-((((3S,6S,9S,12S,15S)-12-(4-aminobutyl)-15-(((2S)-2-(((2S,3S)-2-amino-1-hydroxy-3-methylpentylidene)amino)-1-hydroxypropylidene)amino)-9-benzyl-5,8,11,14-tetrahydroxy-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl)-hydroxymethylidene)amino)-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo(11.3.0)hexadeca-8,11-diene-7-carboximidic acid 结构式
Primary record

(3S,4S,7S,13S)-N-((2S)-1-((2S)-6-amino-1-((E)-1-(2-(((1S,4S,7S,10S,14S,17E,23S)-7-benzyl-3,6,9,15,21,24-hexahydroxy-4-(2-hydroxy-2-iminoethyl)-23-((4-hydroxyphenyl)methyl)-12,19-dithia-2,5,8,16,22,25-hexazabicyclo(12.6.5)pentacosa-2,5,8,15,17,21,24-heptaen-10-yl)imino)-2-hydroxyethyl)imino-1-hydroxybut-2-en-2-yl)imino-1-hydroxyhexan-2-yl)imino-1-hydroxypropan-2-yl)-3-((((3S,6S,9S,12S,15S)-12-(4-aminobutyl)-15-(((2S)-2-(((2S,3S)-2-amino-1-hydroxy-3-methylpentylidene)amino)-1-hydroxypropylidene)amino)-9-benzyl-5,8,11,14-tetrahydroxy-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl)-hydroxymethylidene)amino)-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo(11.3.0)hexadeca-8,11-diene-7-carboximidic acid

库存
8,516 克
纯度
98.2 %
CAS
117978-77-5

化合物标识与属性

CAS
117978-77-5
PubChem CID
73348284
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC2=CC=CC=C2)CC(C)C)C(=O)N[C@@H]3[C@@H](SC[C@@H](NC(=O)CNC(=O)[C@@H]4CCCN4C3=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N/C(=C/C)/C(=O)NCC(=O)N[C@@H]5CSC[C@@H]6C(=O)N/C=C/SC[C@H](C(=O)N[C@H](C(=O)N6)CC7=CC=C(C=C7)O)NC(=O)[C@@H](NC(=O)[C@@H](NC5=O)CC8=CC=CC=C8)CC(=O)N)C)N
Canonical SMILES
C/C=C(/NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H]1CS[C@@H](C)[C@@H](NC(=O)[C@H]2CSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(=O)NCC(=O)N[C@@H]1CSC[C@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CS/C=C/NC2=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O

名称与同义词

  • Gallidermin
  • Staphylococcin T
  • RefChem:922020
  • CHEMBL2367549
  • SCHEMBL29360489
  • CHEBI:221261
  • BAT-012381
  • 117978-77-5
  • (3S,4S,7S,13S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(E)-1-[[2-[[(1S,4S,7S,10S,14S,17E,23S)-4-(2-amino-2-oxoethyl)-7-benzyl-23-[(4-hydroxyphenyl)methyl]-3,6,9,15,21,24-hexaoxo-12,19-dithia-2,5,8,16,22,25-hexazabicyclo[12.6.5]pentacos-17-en-10-yl]amino]-2-oxoethyl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]-3-[[(3S,6S,9S,12S,15S)-12-(4-aminobutyl)-15-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-9-benzyl-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadecane-7-carboxamide
  • (3S,4S,7S,13S)-N-((2S)-1-(((2S)-6-amino-1-(((E)-1-((2-(((1S,4S,7S,10S,14S,17E,23S)-4-(2-amino-2-oxoethyl)-7-benzyl-23-((4-hydroxyphenyl)methyl)-3,6,9,15,21,24-hexaoxo-12,19-dithia-2,5,8,16,22,25-hexazabicyclo(12.6.5)pentacos-17-en-10-yl)amino)-2-oxoethyl)amino)-1-oxobut-2-en-2-yl)amino)-1-oxohexan-2-yl)amino)-1-oxopropan-2-yl)-3-(((3S,6S,9S,12S,15S)-12-(4-aminobutyl)-15-(((2S)-2-(((2S,3S)-2-amino-3-methylpentanoyl)amino)propanoyl)amino)-9-benzyl-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl)amino)-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo(11.3.0)hexadecane-7-carboxamide
  • (3S,4S,7S,13S)-N-((2S)-1-((2S)-6-amino-1-((E)-1-(2-(((1S,4S,7S,10S,14S,17E,23S)-7-benzyl-3,6,9,15,21,24-hexahydroxy-4-(2-hydroxy-2-iminoethyl)-23-((4-hydroxyphenyl)methyl)-12,19-dithia-2,5,8,16,22,25-hexazabicyclo(12.6.5)pentacosa-2,5,8,15,17,21,24-heptaen-10-yl)imino)-2-hydroxyethyl)imino-1-hydroxybut-2-en-2-yl)imino-1-hydroxyhexan-2-yl)imino-1-hydroxypropan-2-yl)-3-((((3S,6S,9S,12S,15S)-12-(4-aminobutyl)-15-(((2S)-2-(((2S,3S)-2-amino-1-hydroxy-3-methylpentylidene)amino)-1-hydroxypropylidene)amino)-9-benzyl-5,8,11,14-tetrahydroxy-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl)-hydroxymethylidene)amino)-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo(11.3.0)hexadeca-8,11-diene-7-carboximidic acid