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  • (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-Acetamido-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methyl-heptanoic acid
Structure

(3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-Acetamido-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methyl-heptanoic acid

CAS
28575-34-0
Catalog Number
ACM28575340
Category
Other Products
Molecular Weight
643.81
Molecular Formula
C31H57N5O9

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Specification

Synonyms
ACETYL-PEPSTATIN;AC-PEPSTATIN;AC-VAL-VAL-(3S,4S)-STA-ALA-(3S,4S)-STA-OH;AC-VAL-VAL-STA-ALA-STA;AC-VAL-VAL-STA-ALA-STA-OH;PEPSTATIN, ACETYL-;N-ACETYL-VAL-VAL(3S,4S)-STA-ALA-(3S,4S)-STA;Aids080613
IUPAC Name
(3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methylheptanoic acid
Canonical SMILES
CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C)O
InChI Key
WKYBEGDEGRCZNF-LBTYKNIQSA-N
Boiling Point
992.8ºC at 760 mmHg
Flash Point
554.2ºC
Density
1.142g/cm³
Appearance
white solid
Exact Mass
643.41600
H-Bond Acceptor
9
H-Bond Donor
8
WGK Germany
3
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