APSTATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H33N5O5
Molecular Weight	459.5386
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@@H](O)[C@H](N)CC3=CC=CC=C3)C(N)=O

InChI

InChIKey=YVUUZAPYLPWFHE-HXFGRODQSA-N

InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H33N5O5
Molecular Weight	459.5386
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:00:33 GMT 2025` Edited by `admin` on `Mon Mar 31 18:00:33 GMT 2025`
Record UNII	JZK8P9AG86
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APSTATIN

Common Name

English

L-ALANINAMIDE, 1-((2S,3R)-3-AMINO-2-HYDROXY-1-OXO-4-PHENYLBUTYL)-L-PROLYL-L-PROLYL-

Preferred Name

English

N-((2S,3R)-3-AMINO-2-HYDROXY-4-PHENYLBUTANOYL)-L-PROLYL-L-PROLYL-L-ALANINAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

447280