(2S)-2-acetamido-5-(2-chloroethylcarbamoylamino)-N-(phenylmethyl)pentanamide

Systemtic Name: (2S)-2-acetamido-5-(2-chloroethylcarbamoylamino)-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-acetamido-N-benzyl-5-(2-chloroethylcarbamoylamino)pentanamide CAS Name: (2S)-2-acetamido-5-[[(2-chloroethylamino)-oxomethyl]amino]-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-5-(2-chloroethylcarbamoylamino)pentanamide Traditional Name: (2S)-2-acetamido-N-benzyl-5-(2-chloroethylcarbamoylamino)valeramide Formula: C17H25ClN4O3 MolecularWeight: 368.8584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCNC(=O)NCCCl)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@@H](CCCNC(=O)NCCCl)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C17H25ClN4O3/c1-13(23)22-15(8-5-10-19-17(25)20-11-9-18)16(24)21-12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,21,24)(H,22,23)(H2,19,20,25)/t15-/m0/s1