Chemical Compound

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

CAS Registry Number 113-78-0
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(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide 结构式
Primary record

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

库存
3,382 克
纯度
98.7 %
CAS
113-78-0

化合物标识与属性

CAS
113-78-0
PubChem CID
449224
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)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

  • DEMOXYTOCIN
  • Deaminooxytocin
  • Sandopart
  • Demoxitocina
  • Demoxytocine
  • Demoxytocinum
  • desaminooxytocin
  • Demossitocina
  • Sandopral
  • 1-deaminooxytocin
  • Odeax
  • Demoxytocin [INN]
  • desamino oxytocin
  • Oxytocin, deamino-
  • DESAMINO-OXYTOCIN
  • Demossitocina [DCIT]
  • ODA 914
  • 1-mercaptopropionateoxytoxin
  • Demoxytocine [INN-French]
  • Demoxytocinum [INN-Latin]
  • AC1L9MVP
  • Demoxitocina [INN-Spanish]
  • RefChem:131788
  • 2N9HM3X95F
  • UNII-2N9HM3X95F
  • (Deamino-Cys1)-Oxytocin
  • ODA-914
  • CHEMBL439044
  • DEAMINOOXYTOCIN [MI]
  • DEMOXYTOCIN [MART.]
  • SCHEMBL38442
  • DEMOXYTOCIN [WHO-DD]
  • 1-(3-Mercaptopropionic acid)-oxytocin
  • 113-78-0
  • CHEBI:135900
  • DTXSID701016964
  • orb1981411
  • EINECS 204-034-9
  • H01BB01
  • GTYWGUNQAMYZPF-QPLNMOKZSA-N
  • DTXCID201475149
  • HY-P2168
  • C43H65N11O12S2
  • BDBM50044676
  • CID449224
  • 1-(3-mercaptopropanoic acid)oxytocin
  • BAT-015399
  • DB13798
  • DA-62769
  • C43-H65-N11-O12-S2
  • 1-(3-MERCAPTOPROPIONIC ACID)OXYTOCIN
  • CS-0109362
  • NS00041432
  • OXYTOCIN, 1-(3-MERCAPTOPROPANOIC ACID)-
  • OXYTOCIN, 1-(3-MERCAPTOPROPIONIC ACID)-
  • Q5256388
  • (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
  • (2S)-N-((2S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-((2S)-butan-2-yl)-16-((4-hydroxyphenyl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide
  • 1-{(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl}-L-prolyl-L-leucylglycinamide
  • 1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-leucylglycinamide
  • 204-034-9
  • DOT