CAS 90779-69-4

CAS number: 90779-69-4
Product name: Adsorbed-CALB
Molecular formula: C43H67N11O12S2

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INQUIRY
Compound number: TFNMC-006-069-280
CAS number: 90779-69-4
Product name: Adsorbed-CALB
IUPAC traditional: atosiban
SMILES: CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1
InChI key: VWXRQYYUEIYXCZ-OBIMUBPZSA-N
Molecular formula: C43H67N11O12S2
Molecular weight: 994.19
Other name: ZINC000169362009
MFCD00672436
(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
Atosiban
cyclic (1?5)-disulfide O-ethyl-N-(3-mercapto-1-oxopropyl)-D-tyrosyl-L-isoleucyl-L-threonyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-ornithyl-glycinamide
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