TRP-601

Details

Stereochemistry	EPIMERIC
Molecular Formula	C40H48F2N6O11
Molecular Weight	826.8395
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)[C@@H](NC(=O)C1=NC2=C(C=CC=C2)C=C1)C(C)C)C(C)C)C(=O)COC3=C(F)C=CC=C3F

InChI

InChIKey=UKOOXNFTVLKWED-HRNCDAKQSA-N

InChI=1S/C40H48F2N6O11/c1-20(2)33(39(55)43-22(5)36(52)45-28(17-31(50)57-6)30(49)19-59-35-24(41)12-10-13-25(35)42)48-38(54)29(18-32(51)58-7)46-40(56)34(21(3)4)47-37(53)27-16-15-23-11-8-9-14-26(23)44-27/h8-16,20-22,28-29,33-34H,17-19H2,1-7H3,(H,43,55)(H,45,52)(H,46,56)(H,47,53)(H,48,54)/t22-,28?,29-,33-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H48F2N6O11
Molecular Weight	826.8395
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:39:14 GMT 2023` Edited by `admin` on `Sat Dec 16 13:39:14 GMT 2023`
Record UNII	XF7CQ628XY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRP-601

Code

English

L-ALANINAMIDE, N-(2-QUINOLINYLCARBONYL)-L-VALYL-L-.ALPHA.-ASPARTYL-L-VALYL-N-(3-(2,6-DIFLUOROPHENOXY)-1-(2-METHOXY-2-OXOETHYL)-2-OXOPROPYL)-, METHYL ESTER

Common Name

English

METHYL-(3S)-5-(2,6-DIFLUOROPHENOXY)-3-((((4-METHOXY-4-OXO-BUTANOYL)-(3-METHYLBUTANOYL-(QUINOLINE-2-CARBONYLAMINO)AMINO)AMINO)-(3-METHYLBUTANOYL)AMINO)-PROPANOYL-AMINO)-4-OXO-PENTANOATE

Common Name

English

5-(2,6-DIFLUORO-PHENOXY)-3(R,S)-(2(S)-(2(S)-(3-METHOXYCARBONYL-2(S)-(3-METHYL-2(S)-((QUINOLINE-2-CARBONYL)-AMINO)-BUTYRYLAMINO)-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO)-4-OXO-PENTANOIC ACID METHYL ESTER

Common Name

English

Code System Code Type Description

FDA UNII

XF7CQ628XY