(phenylmethyl) N-[1-[(2-azanyl-3-naphthalen-1-yl-propanoyl)-[3-(1H-imidazol-5-yl)-1-[(4-methyl-1-oxidanyl-pentan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[(2-azanyl-3-naphthalen-1-yl-propanoyl)-[3-(1H-imidazol-5-yl)-1-[(4-methyl-1-oxidanyl-pentan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[2-[[2-amino-3-(1-naphthyl)propanoyl]-[2-[[1-(hydroxymethyl)-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[[2-amino-3-(1-naphthalenyl)-1-oxopropyl]-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1-naphthalenyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(2-amino-3-naphthalen-1-ylpropanoyl)-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[2-amino-3-(1-naphthyl)propanoyl]-[1-(1H-imidazol-5-ylmethyl)-2-keto-2-[(3-methyl-1-methylol-butyl)amino]ethyl]amino]-2-keto-1-(1-naphthylmethyl)ethyl]carbamic acid benzyl ester Formula: C46H50N6O6 MolecularWeight: 782.9258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)NC(=O)C(CC1=CN=CN1)N(C(=O)C(CC2=CC=CC3=CC=CC=C32)N)C(=O)C(CC4=CC=CC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)CC(CO)NC(=O)C(CC1=CN=CN1)N(C(=O)C(CC2=CC=CC3=CC=CC=C32)N)C(=O)C(CC4=CC=CC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C46H50N6O6/c1-30(2)22-37(27-53)50-43(54)42(25-36-26-48-29-49-36)52(44(55)40(47)23-34-18-10-16-32-14-6-8-20-38(32)34)45(56)41(51-46(57)58-28-31-12-4-3-5-13-31)24-35-19-11-17-33-15-7-9-21-39(33)35/h3-21,26,29-30,37,40-42,53H,22-25,27-28,47H2,1-2H3,(H,48,49)(H,50,54)(H,51,57)