Chemical Compound
(2S)-5-amino-2-{[(2S)-1-[(4R,7S,10S,13S,16R)-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)pentanamide
CAS Registry Number
90779-69-4
Primary record
(2S)-5-amino-2-{[(2S)-1-[(4R,7S,10S,13S,16R)-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)pentanamide
- 库存
- 5,181 克
- 纯度
- 99.5 %
- CAS
- 90779-69-4
化合物标识与属性
- CAS
- 90779-69-4
- PubChem CID
- 165715671
- SMILES
- CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O
- Canonical SMILES
- CCOc1ccc(CC2NC(=O)CCSSCC(C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)C([C@@H](C)CC)NC2=O)cc1
名称与同义词
- Atosiban
- Antocin II
- Orf-22164
- EBC-27512
- RWJ-22164
- [Mpa1,D-Tyr(Et)2,Thr4,Orn8]oxytocin
- J472.245K
- F-314
- EN300-19651813
- (2S)-5-amino-2-{[(2S)-1-[(4R,7S,10S,13S,16R)-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)pentanamide
- 2-Deamino-L-Cys(1)-O-ethyl-D-Tyr-L-Ile-L-Thr-L-Asn-L-Cys(1)-L-Pro-L-Orn-Gly-NH2
- 2-Deamino-L-Cys(1)-O-ethyl-D-Tyr-L-Ile-L-Thr-L-Asp(NH2)-L-Cys(1)-L-Pro-L-Orn-Gly-NH2
- 3-Mercapto(1)propanoyl-O-ethyl-D-Tyr-L-Ile-L-Thr-L-Asn-L-Cys(1)-L-Pro-L-Orn-Gly-NH2
- 3-Mercapto(1)propionyl-O-ethyl-D-Tyr-L-Ile-L-Thr-L-Asn-L-Cys(1)-L-Pro-L-Orn-Gly-NH2
- N-[3-Mercapto(1)propanoyl]-O-ethyl-D-Tyr-L-Ile-L-Thr-L-Asn-L-Cys(1)-L-Pro-L-Orn-Gly-NH2
- 90779-69-4