(2S)-2-[(2-acetamidophenyl)carbonylamino]-N,N-bis(2-chloroethyl)butanediamide

Systemtic Name: (2S)-2-[(2-acetamidophenyl)carbonylamino]-N,N-bis(2-chloroethyl)butanediamide Openeye Name: (2S)-2-[(2-acetamidobenzoyl)amino]-N,N-bis(2-chloroethyl)butanediamide CAS Name: (2S)-2-[[(2-acetamidophenyl)-oxomethyl]amino]-N,N-bis(2-chloroethyl)butanediamide IUPAC Name: (2S)-2-[(2-acetamidobenzoyl)amino]-N,N-bis(2-chloroethyl)butanediamide Traditional Name: (2S)-2-[(2-acetamidobenzoyl)amino]-N,N-bis(2-chloroethyl)succinamide Formula: C17H22Cl2N4O4 MolecularWeight: 417.28698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C(=O)NC(CC(=O)N)C(=O)N(CCCl)CCCl

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C(=O)N[C@@H](CC(=O)N)C(=O)N(CCCl)CCCl

InChI

InChI=1S/C17H22Cl2N4O4/c1-11(24)21-13-5-3-2-4-12(13)16(26)22-14(10-15(20)25)17(27)23(8-6-18)9-7-19/h2-5,14H,6-10H2,1H3,(H2,20,25)(H,21,24)(H,22,26)/t14-/m0/s1