Compound C29H40N4O7S

2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate

CAS: 6130-64-9

Molecular Formula	`C29H40N4O7S`
Molecular Weight	588.7 g/mol
Topological Polar Surface Area	169.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	11
Exact Mass	588.2618
Heavy Atoms	41
Complexity	752.0

Chemical Identifiers

CAS Number	6130-64-9
SMILES	`CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O`
InChIKey	`KZDCMKVLEYCGQX-UDPGNSCCSA-N`

📖 Product Overview

Compound C29H40N4O7S (CAS: 6130-64-9) is a chemical compound with molecular formula C29H40N4O7S and molecular weight 588.7 g/mol. Its IUPAC systematic name is 2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate. Topological Polar Surface Area 169.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 11 Exact Mass 588.2618 Heavy Atoms 41 Complexity 752.0 InChI Key: KZDCMKVLEYCGQX-UDPGNSCCSA-N. SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O.

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