chempirical

(2R)-2-(4-Hydroxyphenyl)glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-(2R)-2-(4-hydroxyphenyl)glycinamide

C24H26N4O7SCAS 188112-75-6514.55 g/mol

Open in Covalent MOL file
SHNONHOH2NOHOHONOOH
AlcoholAmideCarboxylic AcidPrimary AmineSulfide

Properties

Molecular formula
C24H26N4O7S
Molar mass
514.55 g/mol
Exact mass
514.1522 Da
logP
2.27Crippen estimate
Polar surface area
189.3 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
7

Identifiers

CAS number
188112-75-6
SMILES
CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O
InChIKey
IWGQIIQKNORCPQ-OSAVLUCMSA-N
InChI
InChI=1S/C24H26N4O7S/c1-24(2)18(23(34)35)28-21(33)17(22(28)36-24)27-20(32)16(12-5-9-14(30)10-6-12)26-19(31)15(25)11-3-7-13(29)8-4-11/h3-10,15-18,22,29-30H,25H2,1-2H3,(H,26,31)(H,27,32)(H,34,35)/t15-,16-,17-,18+,22-/m1/s1

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Names and synonyms

1 names
  • Glycinamide, (2R)-2-(4-hydroxyphenyl)glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)-, (2R)-

Work with (2R)-2-(4-Hydroxyphenyl)glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-(2R)-2-(4-hydroxyphenyl)glycinamide

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Elsewhere

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