2-azanyl-N-[2-[(7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl)amino]-3-phenyl-propanoyl]-3-methyl-butanamide

Systemtic Name: 2-azanyl-N-[2-[(7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl)amino]-3-phenyl-propanoyl]-3-methyl-butanamide Openeye Name: 2-amino-N-[2-[[5-amino-1-(2-chloroacetyl)pentyl]amino]-3-phenyl-propanoyl]-3-methyl-butanamide CAS Name: 2-amino-N-[2-[(7-amino-1-chloro-2-oxoheptan-3-yl)amino]-1-oxo-3-phenylpropyl]-3-methylbutanamide IUPAC Name: 2-amino-N-[2-[(7-amino-1-chloro-2-oxoheptan-3-yl)amino]-3-phenylpropanoyl]-3-methylbutanamide Traditional Name: 2-amino-N-[2-[[5-amino-1-(2-chloroacetyl)pentyl]amino]-3-phenyl-propanoyl]-3-methyl-butyramide Formula: C21H33ClN4O3 MolecularWeight: 424.96472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33ClN4O3/c1-14(2)19(24)21(29)26-20(28)17(12-15-8-4-3-5-9-15)25-16(18(27)13-22)10-6-7-11-23/h3-5,8-9,14,16-17,19,25H,6-7,10-13,23-24H2,1-2H3,(H,26,28,29)