N-azanylidene-2-[[4-(2-azanyl-3-phenyl-propanoyl)cycloheptyl]amino]-3-oxidanyl-butanamide

Systemtic Name: N-azanylidene-2-[[4-(2-azanyl-3-phenyl-propanoyl)cycloheptyl]amino]-3-oxidanyl-butanamide Openeye Name: 2-[[4-(2-amino-3-phenyl-propanoyl)cycloheptyl]amino]-3-hydroxy-N-imino-butanamide CAS Name: 2-[[4-(2-amino-1-oxo-3-phenylpropyl)cycloheptyl]amino]-3-hydroxy-N-iminobutanamide IUPAC Name: 2-[[4-(2-amino-3-phenylpropanoyl)cycloheptyl]amino]-3-hydroxy-N-iminobutanamide Traditional Name: 3-hydroxy-N-imino-2-[(4-phenylalanylcycloheptyl)amino]butyramide Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N=N)NC1CCCC(CC1)C(=O)C(CC2=CC=CC=C2)N)O

Isomeric SMILES

CC(C(C(=O)N=N)NC1CCCC(CC1)C(=O)C(CC2=CC=CC=C2)N)O

InChI

InChI=1S/C20H30N4O3/c1-13(25)18(20(27)24-22)23-16-9-5-8-15(10-11-16)19(26)17(21)12-14-6-3-2-4-7-14/h2-4,6-7,13,15-18,22-23,25H,5,8-12,21H2,1H3