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Glycinamide, N-methyl-L-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, (2S-(2alpha,5alpha,6beta))-

HCID 10028656
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Basic information

CAS
63358-51-0
Standard SMILES
CNC(=O)C[C@H](N)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccc(O)cc1
InChIKey
BHELIUBJHYAEDK-QSSYGMBASA-N
Molecular formula
C21H27N5O7S
Average molar mass
493.5 g/mol
Monoisotopic mass
493.16311939

Names & identifiers

Preferred name
Glycinamide, N-methyl-L-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, (2S-(2alpha,5alpha,6beta))-
IUPAC
(2S,5R,6R)-6-[[(2R)-2-[[(2S)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Names & synonyms

63358-51-0Glycinamide, N-methyl-L-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-D-2-(4-hydroxyphenyl)-, [2S-(2alpha,5alpha,6beta)]-Glycinamide, N-methyl-L-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, (2S-(2alpha,5alpha,6beta))-RefChem:346271orb1985884DTXSID301100705AKOS040752428T32581(2S,5R,6R)-6-[[(2R)-2-[[(2S)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidGlycinamide, N-methyl-L-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-D-2-(4-hydroxyphenyl)-, [2S-(2I+/-,5I+/-,6I(2))]-

Database identifiers

CAS
63358-51-0
PubChem CID
10028656
DTXSID
DTXSID301100705

Properties

Computed structural properties

XLogP
-3.4
Topological polar surface area
216 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
34
Formal charge
0
Complexity
860

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