Chemical Compound

(4R,7S,10S,13S,16S,19R)-N-[(2R)-1-Amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

CAS Registry Number 179188-73-9
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(4R,7S,10S,13S,16S,19R)-N-[(2R)-1-Amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide 结构式
Primary record

(4R,7S,10S,13S,16S,19R)-N-[(2R)-1-Amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

库存
2,919 克
纯度
98.3 %
CAS
179188-73-9

化合物标识与属性

CAS
179188-73-9
PubChem CID
71311699
SMILES
CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)N)C(=O)N[C@H](CC7=CC8=CC=CC=C8C=C7)C(=O)N
Canonical SMILES
CC(C)[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O

名称与同义词

  • BIM-23127
  • SCHEMBL30195625
  • 179188-73-9
  • BIM 23127
  • FB109397
  • H-D-2-NAL-CYS-TYR-D-TRP-ORN-VAL-CYS-2-NAL-NH2
  • (4R,7S,10S,13S,16S,19R)-N-[(2R)-1-Amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
  • H-D-2-Nal-Cys-Tyr-D-Trp-Orn-Val-Cys-2-Nal-NH2, (Disulfide bond)
  • H-D-2-Nal-cys-tyr-D-trp-orn-val-cys-2-nal-nh2,(disulfide bond)
  • (4R,7S,10S,13S,16S,19R)-N-[(2R)-1-Amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,
  • 160161-61-5
  • |A-(2-Naphthyl)-D-Ala-Cys-Tyr-D-Trp-Orn-Val-Cys-|A-(2-Naphthyl)-D-Ala-NH2 [disulfide bridge: 2-7]
  • L-Alaninamide, 3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-ornithyl-L-valyl-L-cysteinyl-3-(2-naphthalenyl)-, cyclic (2 inverted exclamation marku7)-disulfide
  • L-Alaninamide,3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-ornithyl-L-valyl-L-cysteinyl-3-(2-naphthalenyl)-,cyclic (2(R)7)-disulfide
  • L-Alaninamide,3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-ornithyl-L-valyl-L-cysteinyl-3-(2-naphthalenyl)-,cyclic(2(R)7)-disulfide