N-[5-[(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)carbamoylamino]-2-(4-piperidin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-5-phenyl-pentanamide

Systemtic Name: N-[5-[(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)carbamoylamino]-2-(4-piperidin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-5-phenyl-pentanamide Openeye Name: N-[5-[[2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoylamino]-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]-5-phenyl-pentanamide CAS Name: N-[5-[[[[1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]-2-[4-[oxo(4-piperidinyl)methyl]-1,4-diazepan-1-yl]phenyl]-5-phenylpentanamide IUPAC Name: N-[5-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)carbamoylamino]-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]-5-phenylpentanamide Traditional Name: N-[5-[[2-amino-2-keto-1-(2-naphthylmethyl)ethyl]carbamoylamino]-2-(4-isonipecotoyl-1,4-diazepan-1-yl)phenyl]-5-phenyl-valeramide Formula: C42H51N7O4 MolecularWeight: 717.89884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCNCC2)C3=C(C=C(C=C3)NC(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N)NC(=O)CCCCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCNCC2)C3=C(C=C(C=C3)NC(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N)NC(=O)CCCCC6=CC=CC=C6

InChI

InChI=1S/C42H51N7O4/c43-40(51)37(28-31-15-16-32-12-5-6-13-34(32)27-31)47-42(53)45-35-17-18-38(36(29-35)46-39(50)14-7-4-11-30-9-2-1-3-10-30)48-23-8-24-49(26-25-48)41(52)33-19-21-44-22-20-33/h1-3,5-6,9-10,12-13,15-18,27,29,33,37,44H,4,7-8,11,14,19-26,28H2,(H2,43,51)(H,46,50)(H2,45,47,53)