Chemical Compound

(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R,3R)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

CAS Registry Number 154445-03-1
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R,3R)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide 结构式
Primary record

(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R,3R)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

库存
1,794 克
纯度
99.2 %
CAS
154445-03-1

化合物标识与属性

CAS
154445-03-1
PubChem CID
197651
SMILES
C[C@H]([C@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCCN=C(N)N)C(C)C)CC3=CC=CC=C3)N)O
Canonical SMILES
CC(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](C(=O)NCC(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O

名称与同义词

  • Annetocin
  • RefChem:112854
  • AC1L53SG
  • DTXSID30165631
  • DTXCID5088122
  • SCHEMBL15511535
  • CID197651
  • Cyclo(cys-phe-val-arg-asn-cys)-pro-thr-gly-NH2
  • 154445-03-1
  • (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R,3R)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
  • Oxytocin, 2-L-phenylalanine-3-L-valine-4-L-arginine-8-L-threonine-
  • (2S)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-(3-(diaminomethylideneamino)propyl)-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl)-N-((2R,3R)-1-((2-amino-2-oxoethyl)amino)-3-hydroxy-1-oxobutan-2-yl)pyrrolidine-2-carboxamide
  • (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R,3R)-1-[(2-amino-2-oxoethyl)amino]-3-hydrox
  • 1-[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-16-benzyl-10-{3-[(diaminomethylidene)amino]propyl}-6,9,12,15,18-pentaoxo-13-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]-L-prolyl-D-allothreonylglycinamide