(3S)-4-[bis(2-chloroethyl)amino]-3-[(2-formamidophenyl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[bis(2-chloroethyl)amino]-3-[(2-formamidophenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[bis(2-chloroethyl)amino]-3-[(2-formamidobenzoyl)amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[bis(2-chloroethyl)amino]-3-[[(2-formamidophenyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[bis(2-chloroethyl)amino]-3-[(2-formamidobenzoyl)amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[bis(2-chloroethyl)amino]-3-[(2-formamidobenzoyl)amino]-4-keto-butyric acid Formula: C16H19Cl2N3O5 MolecularWeight: 404.24516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CC(=O)O)C(=O)N(CCCl)CCCl)NC=O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N(CCCl)CCCl)NC=O

InChI

InChI=1S/C16H19Cl2N3O5/c17-5-7-21(8-6-18)16(26)13(9-14(23)24)20-15(25)11-3-1-2-4-12(11)19-10-22/h1-4,10,13H,5-9H2,(H,19,22)(H,20,25)(H,23,24)/t13-/m0/s1