 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-4-phenylbutyl]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-4-phenylbutyl]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-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate structure

CAS No:
127231-47-4
Formula:
C34H54N6O8
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-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate
Synonyms:
CHEMBL3143737;AcLeuAsnPhe(CHOHCH2)ProIleOMe;CHEMBL23596;BDBM50014018;L-Isoleucine, N-(1-(3-((N2-(N-acetyl-L-leucyl)-L-asparaginyl)amino)-2-hydroxy-4-phenylbutyl)-L-prolyl)-, methyl ester, (S-(R*,R*))-;N-Ac-L-Leu-L-Asn-[(2S,3S)-3-Amino*-2-hydroxy-4-phenylbutyl]-L-Pro-L-Ile-OMe;2-[(1-{2-[2-(2-Acetylamino-4-methyl-pentanoylamino)-3-carbamoyl-propionylamino]-1-hydroxy-3-phenyl-propyl}-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-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate Basic Attributes

Molecular Weight：

674.8 g/mol

Exact Mass：

674.40031270 g/mol

Characteristics

PSA：

209 Å²

Computed Properties

Molecular Weight:674.8
XLogP3:1.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:20
Exact Mass:674.40031270
Monoisotopic Mass:674.40031270
Topological Polar Surface Area:209
Heavy Atom Count:48
Complexity:1100
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-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate

Basic Attributes
Characteristics
Computed Properties
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