 Home > Encyclopedia > methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-5-methylhexyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate

methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-5-methylhexyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate

methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-5-methylhexyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate structure

CAS No:
127231-51-0
Formula:
C31H56N6O8
Chemical Name:
methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-5-methylhexyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate
Synonyms:
CHEMBL3143742;AcLeuAsnLeu(CHOHCH2)ProIleOMe;(N-(AcetylLeuAsn)-3-amino-2-hydroxy-5-methylhexyl)ProIsoleucine methyl ester;CHEMBL23902;BDBM50014021;L-Isoleucine, N-(1-(3-((N2-(N-acetyl-L-leucyl)-L-asparaginyl)amino)-2-hydroxy-5-methylhexyl)-L-prolyl)-, methyl ester, (S-(R*,R*))-;N-Ac-L-Leu-L-Asn-[(2S,3S)-3-Amino*-2-hydroxy-5-methylhexyl]-L-Pro-L-Ile-OMe;2-[(1-{2-[2-(2-Acetylamino-4-methyl-pentanoylamino)-3-carbamoyl-propionylamino]-1-hydroxy-4-methyl-pentyl}-pyrrolidine-2-carbonyl)-amino]-3-methyl-pentanoic acid methyl ester

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methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-5-methylhexyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate Basic Attributes

Molecular Weight：

640.8 g/mol

Exact Mass：

640.41596277 g/mol

Characteristics

PSA：

209 Å²

Computed Properties

Molecular Weight:640.8
XLogP3:1.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:20
Exact Mass:640.41596277
Monoisotopic Mass:640.41596277
Topological Polar Surface Area:209
Heavy Atom Count:45
Complexity:1020
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-5-methylhexyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate

Basic Attributes
Characteristics
Computed Properties
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