(2S)-2-azanyl-N-[(2S)-1-[(7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl)amino]-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-[(7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl)amino]-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[(1S)-2-[[5-amino-1-(2-chloroacetyl)pentyl]amino]-1-methyl-2-oxo-ethyl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[(2S)-1-[(7-amino-1-chloro-2-oxoheptan-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[(2S)-1-[(7-amino-1-chloro-2-oxoheptan-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[(1S)-2-[[5-amino-1-(2-chloroacetyl)pentyl]amino]-2-keto-1-methyl-ethyl]-3-phenyl-propionamide Formula: C19H29ClN4O3 MolecularWeight: 396.91156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCCN)C(=O)CCl)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

C[C@@H](C(=O)NC(CCCCN)C(=O)CCl)NC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C19H29ClN4O3/c1-13(18(26)24-16(17(25)12-20)9-5-6-10-21)23-19(27)15(22)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12,21-22H2,1H3,(H,23,27)(H,24,26)/t13-,15-,16?/m0/s1