ALTERNATIVE DEFINITION for [TERLIPRESSIN ACETATE ANHYDROUS]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H74N16O15S2.2C2H4O2
Molecular Weight	1347.476
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [TERLIPRESSIN ACETATE ANHYDROUS]

Structure Search

SMILES

CC(O)=O.CC(O)=O.[H][C@@]2(CC1=CC=CC=C1)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)CNC(=O)CNC(=O)CN

InChI

InChIKey=WNFVFDPQEHRNTC-LWCZBKQBSA-N

InChI=1S/C52H74N16O15S2.2C2H4O2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37;2*1-2(3)4/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80);2*1H3,(H,3,4)/t31-,32-,33-,34-,35-,36-,37-,38-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C52H74N16O15S2
Molecular Weight	1227.372
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:59:14 GMT 2023` Edited by `admin` on `Sat Dec 16 14:59:14 GMT 2023`
Record UNII	10B4G9161D
Record Status	`alternative`
Record Version

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					10B4G9161D

TERLIPRESSIN ACETATE ANHYDROUS

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					10B4G9161D

TERLIPRESSIN ACETATE ANHYDROUS

Primary Definition