CYSTEINYL TALIRINE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C63H71N9O14S
Molecular Weight	1210.355
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(=CN1C(=O)C3=CC(OC)=C(OCCCOC4=C(OC)C=C5C(=C4)N=C[C@]6([H])CC(=CN6C5=O)C7=CC=C(OC)C=C7)C=C3N=C2)C8=CC=C(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCCCN9C(=O)CC(SC[C@H](N)C(O)=O)C9=O)C(C)C)C=C8

InChI

InChIKey=BNJNAEJASPUJTO-CPHBFUCSSA-N

InChI=1S/C63H71N9O14S/c1-35(2)57(69-55(73)11-8-7-9-20-70-56(74)29-54(62(70)79)87-34-47(64)63(80)81)59(76)67-36(3)58(75)68-41-16-12-37(13-17-41)39-23-42-30-65-48-27-52(50(83-5)25-45(48)60(77)71(42)32-39)85-21-10-22-86-53-28-49-46(26-51(53)84-6)61(78)72-33-40(24-43(72)31-66-49)38-14-18-44(82-4)19-15-38/h12-19,25-28,30-33,35-36,42-43,47,54,57H,7-11,20-24,29,34,64H2,1-6H3,(H,67,76)(H,68,75)(H,69,73)(H,80,81)/t36-,42-,43-,47-,54?,57-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C63H71N9O14S
Molecular Weight	1210.355
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:01:15 UTC 2023` Edited by `admin` on `Sat Dec 16 01:01:15 UTC 2023`
Record UNII	X1TW58ZV0U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYSTEINYL TALIRINE

Common Name

English

TALIRINE CYSTEINE

Common Name

English

N-(6-(3-MERCAPTO-2,5-DIOXO-1-PYRROLIDINYL)-1-OXOHEXYL)-L-VALYL-N-(4-((11AS)-8-(3-(((11AS)-5,11A-DIHYDRO-7-METHOXY-2-(4-METHOXYPHENYL)-5-OXO-1H-PYRROLO(2,1-C)(1,4)BENZODIAZEPIN-8-YL)OXY)PROPOXY)-5,11A-DIHYDRO-7-METHOXY-5-OXO-1H-PYRROLO(2,1-C)(1,4)BENZODIA

Systematic Name

English

CYSTEINYL MC-VAL-ALA-PBD

Common Name

English

Code System Code Type Description

FDA UNII

X1TW58ZV0U

Created by admin on Sat Dec 16 01:01:15 UTC 2023 , Edited by admin on Sat Dec 16 01:01:15 UTC 2023

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PUBCHEM

129894483