ELASTATINAL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H36N8O7
Molecular Weight	512.5599
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(CCN=C(N)N1)[C@H](NC(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C=O

InChI

InChIKey=IJWCGVPEDDQUDE-YGJAXBLXSA-N

InChI=1S/C21H36N8O7/c1-10(2)8-14(19(34)35)28-21(36)29-16(12-6-7-24-20(23)27-12)18(33)26-13(4-5-15(22)31)17(32)25-11(3)9-30/h9-14,16H,4-8H2,1-3H3,(H2,22,31)(H,25,32)(H,26,33)(H,34,35)(H3,23,24,27)(H2,28,29,36)/t11-,12-,13-,14-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H36N8O7
Molecular Weight	512.5599
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 `Sat Dec 16 08:33:49 GMT 2023` Edited by `admin` on `Sat Dec 16 08:33:49 GMT 2023`
Record UNII	LX4Y75DOA7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELASTATINAL

Common Name

English

(2S)-2-((4S)-2-AMINO-3,4,5,6-TETRAHYDRO-4-PYRIMIDINYL)-N-((((1S)-1-CARBOXY-3-METHYLBUTYL)AMINO)CARBONYL)GLYCYL-N1-((1S)-1-METHYL-2-OXOETHYL)-L-GLUTAMAMIDE

Systematic Name

English

L-GLUTAMAMIDE, (2S)-2-((4S)-2-AMINO-3,4,5,6-TETRAHYDRO-4-PYRIMIDINYL)-N-((((1S)-1-CARBOXY-3-METHYLBUTYL)AMINO)CARBONYL)GLYCYL-N1-((1S)-1-METHYL-2-OXOETHYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60966118