 Home > Encyclopedia > b-Alanine, N-[(2S)-1-amino-2-[(glycyl-L-prolyl-Lvalyl)amino]-3,3-dimethylbutylidene]-3-methyl-Lvalyl-(bS)-b-methyl-L-phenylalanyl-3-(2-thiazolyl)-, methyl ester, cyclic (1')-imine,(3R)-

b-Alanine, N-[(2S)-1-amino-2-[(glycyl-L-prolyl-Lvalyl)amino]-3,3-dimethylbutylidene]-3-methyl-Lvalyl-(bS)-b-methyl-L-phenylalanyl-3-(2-thiazolyl)-, methyl ester, cyclic (1')-imine,(3R)-

b-Alanine, N-[(2S)-1-amino-2-[(glycyl-L-prolyl-Lvalyl)amino]-3,3-dimethylbutylidene]-3-methyl-Lvalyl-(bS)-b-methyl-L-phenylalanyl-3-(2-thiazolyl)-, methyl ester, cyclic (1')-imine,(3R)- structure

CAS No:
11044-38-5
Formula:
C41H60N8O7S
Chemical Name:
b-Alanine, N-[(2S)-1-amino-2-[(glycyl-L-prolyl-Lvalyl)amino]-3,3-dimethylbutylidene]-3-methyl-Lvalyl-(bS)-b-methyl-L-phenylalanyl-3-(2-thiazolyl)-, methyl ester, cyclic (1')-imine,(3R)-
Synonyms:
BottromycinB2 (8CI); METHYL 3-[[2-[[2-[[AMINO-[1-[2-[[3,3-DIMETHYL-2-[[(E)-4-METHYLPENT-2-ENOYL]AMINO]BUTANOYL]AMINO]-3-METHYL-BUTANOYL]PYRROLIDIN-2-YL]METHYLIDENE]AMINO]ACETYL]AMINO]-3-PHENYL-BUTANOYL]AMINO]-3-(1,3-THIAZOL-2-YL)PROPANOATE;

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b-Alanine, N-[(2S)-1-amino-2-[(glycyl-L-prolyl-Lvalyl)amino]-3,3-dimethylbutylidene]-3-methyl-Lvalyl-(bS)-b-methyl-L-phenylalanyl-3-(2-thiazolyl)-, methyl ester, cyclic (1')-imine,(3R)- Basic Attributes

Molecular Weight：

809.02900

Exact Mass：

808.43056746

Characteristics

PSA：

253.98000

XLogP3：

7.38350

Density：

1.25g/cm3

Refractive Index：

1.604

Computed Properties

Molecular Weight:809.0
XLogP3:4.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:20
Exact Mass:808.43056746
Monoisotopic Mass:808.43056746
Topological Polar Surface Area:243
Heavy Atom Count:57
Complexity:1460
Undefined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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b-Alanine, N-(phenylMethyl)-, Methyl ester, hydrochloride

25027-59-2

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Guide of b-Alanine, N-[(2S)-1-amino-2-[(glycyl-L-prolyl-Lvalyl)amino]-3,3-dimethylbutylidene]-3-methyl-Lvalyl-(bS)-b-methyl-L-phenylalanyl-3-(2-thiazolyl)-, methyl ester, cyclic (1')-imine,(3R)-

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

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