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

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-[(7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-pentanamide Openeye Name: (2S)-2-amino-N-[(1S)-2-[[5-amino-1-(2-chloroacetyl)pentyl]amino]-1-benzyl-2-oxo-ethyl]-3-methyl-pentanamide CAS Name: (2S)-2-amino-N-[(2S)-1-[(7-amino-1-chloro-2-oxoheptan-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide IUPAC Name: (2S)-2-amino-N-[(2S)-1-[(7-amino-1-chloro-2-oxoheptan-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide Traditional Name: (2S)-2-amino-N-[(1S)-2-[[5-amino-1-(2-chloroacetyl)pentyl]amino]-1-benzyl-2-keto-ethyl]-3-methyl-valeramide Formula: C22H35ClN4O3 MolecularWeight: 438.9913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35ClN4O3/c1-3-15(2)20(25)22(30)27-18(13-16-9-5-4-6-10-16)21(29)26-17(19(28)14-23)11-7-8-12-24/h4-6,9-10,15,17-18,20H,3,7-8,11-14,24-25H2,1-2H3,(H,26,29)(H,27,30)/t15?,17?,18-,20-/m0/s1