[5-[(2-azanyl-3-methyl-butanoyl)amino]-3-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-6-(phenylcarbamoyloxy)cyclohex-3-en-1-yl] N-phenylcarbamate

Systemtic Name: [5-[(2-azanyl-3-methyl-butanoyl)amino]-3-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-6-(phenylcarbamoyloxy)cyclohex-3-en-1-yl] N-phenylcarbamate Openeye Name: [5-[(2-amino-3-methyl-butanoyl)amino]-3-[(3-amino-3-oxo-propyl)carbamoyl]-6-(phenylcarbamoyloxy)cyclohex-3-en-1-yl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [5-[(2-amino-3-methyl-1-oxobutyl)amino]-3-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-6-[anilino(oxo)methoxy]-1-cyclohex-3-enyl] ester IUPAC Name: [5-[(2-amino-3-methylbutanoyl)amino]-3-[(3-amino-3-oxopropyl)carbamoyl]-6-(phenylcarbamoyloxy)cyclohex-3-en-1-yl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [3-[(3-amino-3-keto-propyl)carbamoyl]-5-[(2-amino-3-methyl-butanoyl)amino]-6-(phenylcarbamoyloxy)cyclohex-3-en-1-yl] ester Formula: C29H36N6O7 MolecularWeight: 580.63214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1C=C(CC(C1OC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3)C(=O)NCCC(=O)N)N

Isomeric SMILES

CC(C)C(C(=O)NC1C=C(CC(C1OC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3)C(=O)NCCC(=O)N)N

InChI

InChI=1S/C29H36N6O7/c1-17(2)24(31)27(38)35-21-15-18(26(37)32-14-13-23(30)36)16-22(41-28(39)33-19-9-5-3-6-10-19)25(21)42-29(40)34-20-11-7-4-8-12-20/h3-12,15,17,21-22,24-25H,13-14,16,31H2,1-2H3,(H2,30,36)(H,32,37)(H,33,39)(H,34,40)(H,35,38)