VELMUPRESSIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H60ClN11O8S2
Molecular Weight	946.578
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@@H]1NC(=O)[C@H](CC2=CC=CS2)NC(=O)[C@H](CC3=CC=C(Cl)C=C3)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N4CCC[C@H]4C(=O)NCCCCNC(N)=N

InChI

InChIKey=VXHQBKSIDHVNIG-ZABOXFJKSA-N

InChI=1S/C42H60ClN11O8S2/c1-24(2)35-40(61)51-30(22-33(44)55)37(58)52-31(41(62)54-17-5-9-32(54)39(60)47-15-3-4-16-48-42(45)46)23-63-18-7-10-34(56)49-28(20-25-11-13-26(43)14-12-25)36(57)50-29(38(59)53-35)21-27-8-6-19-64-27/h6,8,11-14,19,24,28-32,35H,3-5,7,9-10,15-18,20-23H2,1-2H3,(H2,44,55)(H,47,60)(H,49,56)(H,50,57)(H,51,61)(H,52,58)(H,53,59)(H4,45,46,48)/t28-,29-,30-,31-,32-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H60ClN11O8S2
Molecular Weight	946.578
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:47:36 UTC 2023` Edited by `admin` on `Sat Dec 16 15:47:36 UTC 2023`
Record UNII	XXP2BHA72W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VELMUPRESSIN

Official Name

English

velmupressin [INN]

Common Name

English

L-PROLINAMIDE, 4-CHLORO-N-(4-MERCAPTO-1-OXOBUTYL)-L-PHENYLALANYL-3-(2-THIENYL)-L-ALANYL-L-VALYL-L-ASPARAGINYL-L-CYSTEINYL-N-(4-((AMINOIMINOMETHYL)AMINO)BUTYL)-, CYCLIC (1->5)-THIOETHER

Systematic Name

English

Code System Code Type Description

INN

11227