Chemical Compound

(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-[[(2S)-6-acetamido-1-[[(5S)-5-amino-6-[[(3S)-3-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutyl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-1-amino-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2R)-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide

CAS Registry Number 1488411-60-4
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(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-[[(2S)-6-acetamido-1-[[(5S)-5-amino-6-[[(3S)-3-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutyl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-1-amino-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2R)-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide 结构式
Primary record

(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-[[(2S)-6-acetamido-1-[[(5S)-5-amino-6-[[(3S)-3-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutyl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-1-amino-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2R)-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide

库存
4,285 克
纯度
98.1 %
CAS
1488411-60-4

化合物标识与属性

CAS
1488411-60-4
PubChem CID
121313021
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)C)NC(=O)CC[C@@H](C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H](CC6=CC=C(C=C6)OC)NC(=O)CC7=CC=CC=C7)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCNC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)Cc2ccccc2)C(N)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

名称与同义词

  • Invopressin
  • Invopressina
  • Invopressine
  • invopressin [INN]
  • Invopressin [WHO-DD]
  • OCE-205
  • GT7UX45K55
  • orb2277211
  • CHEMBL5314925
  • SCHEMBL17722524
  • HY-P5535
  • DA-64466
  • CS-0886345
  • 1488411-60-4
  • A980543
  • (2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-[[(2S)-6-acetamido-1-[[(5S)-5-amino-6-[[(3S)-3-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutyl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-1-amino-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2R)-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
  • [Phe^2,Ile^3,Dab(PhAc-D-Tyr(Me)-Phe-Gln-Asn-Ala-Pro-Arg-iGln-Lys(Ac)-Epsilon-Lys)^8]vasopressin
  • Glycinamide, L-cysteinyl-L-phenylalanyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-(2S)-4-[[N6-(N6-acetyl-L-lysyl)-L-lysyl]amino]-2-aminobutanoyl-, cyclic (1-->6)-disulfide, (8'''-->1'')-amide with O-methyl-N-(2-phenylacetyl)-D-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-alanyl-L-prolyl-L-arginyl-L-alpha-glutamine