 Home > Encyclopedia > 4-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-1-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxobutan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-4-oxobutanoic acid

4-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-1-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxobutan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-4-oxobutanoic acid

4-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-1-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxobutan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-4-oxobutanoic acid structure

CAS No:
95500-67-7
Formula:
C33H49N5O9
Chemical Name:
4-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-1-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxobutan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-4-oxobutanoic acid
Synonyms:
ICI 186756;ICI-186756;N(2)-(3-carboxy-1-oxopropyl)-N(6)-((phenylmethoxy)carbonyl)-lysyl-valyl-N-(1-formyl-2-methylpropyl)-prolinamide;95500-67-7;Ici-186756;DTXSID50914966;N(2)-(3-Carboxy-1-oxopropyl)-N(6)-((phenylmethoxy)carbonyl)-lysyl-valyl-N-(1-formyl-2-methylpropyl)-prolinamide;4-Hydroxy-4-({3,10,15-trihydroxy-15-[1-(3-methyl-1-oxobutan-2-yl)pyrrolidin-2-yl]-13-oxo-1-phenyl-12-(propan-2-yl)-2-oxa-4,11,14-triazapentadeca-3,10,14-trien-9-yl}imino)butanoato;L-Prolinamide, N2-(3-carboxy-1-oxopropyl)-N6-((phenylmethoxy)carbonyl)-L-lysyl-L-valyl-N-(1-formyl-2-methylpropyl)-, (S)-
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-1-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxobutan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-4-oxobutanoic acid Basic Attributes

Molecular Weight：

659.8 g/mol

Exact Mass：

659.35302816 g/mol

Characteristics

PSA：

200 Å²

Drug Information

MeSH Entry Terms：

ICI 186756

Computed Properties

Molecular Weight:659.8
XLogP3:0.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:20
Exact Mass:659.35302816
Monoisotopic Mass:659.35302816
Topological Polar Surface Area:200
Heavy Atom Count:47
Complexity:1080
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-[[(1S)-1-[[(1S)-2-methyl-1-[[(2S)-1-[(2S)-3-methyl-1-oxo-butan-2-yl]pyrrolidine-2-carbonyl]carbamoyl]propyl]carbamoyl]-5-phenylmethoxycarbonylamino-pentyl]carbamoyl]propanoic acid

CAS No.: 95500-67-7

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Guide of 4-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-1-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxobutan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-4-oxobutanoic acid

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