CAS 127716-65-8 | Oxytocin, 4-L-glutamic acid-, hydrazide (9CI) | CAS Number 127716-65-8

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127716-65-8 | Oxytocin, 4-L-glutamic acid-, hydrazide (9CI)

CAS No: 127716-65-8 Catalog No: AG000XCI MDL No:

Product Description

Catalog Number:

AG000XCI

Chemical Name:

Oxytocin, 4-L-glutamic acid-, hydrazide (9CI)

CAS Number:

127716-65-8

Molecular Formula:

C43H67N13O12S2

Molecular Weight:

1022.2020

IUPAC Name:

(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-(3-hydrazinyl-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

InChI:

InChI=1S/C43H67N13O12S2/c1-5-22(4)35-42(67)49-26(12-13-34(60)55-47)38(63)51-29(17-32(45)58)39(64)53-30(20-70-69-19-25(44)36(61)50-28(40(65)54-35)16-23-8-10-24(57)11-9-23)43(68)56-14-6-7-31(56)41(66)52-27(15-21(2)3)37(62)48-18-33(46)59/h8-11,21-22,25-31,35,57H,5-7,12-20,44,47H2,1-4H3,(H2,45,58)(H2,46,59)(H,48,62)(H,49,67)(H,50,61)(H,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,60)/t22-,25-,26-,27-,28-,29-,30-,31-,35?/m0/s1

InChI Key:

UCIVOSQJEMZBTM-OMTOYRQASA-N

SMILES:

NNC(=O)CC[C@@H]1NC(=O)C(NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC1=O)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)[C@H](CC)C