(phenylmethyl) N-[5-azanyl-6-[[4-[4-azanyl-3,5-bis(bromanyl)phenyl]-1,4-bis(oxidanylidene)-1-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butan-2-yl]amino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: (phenylmethyl) N-[5-azanyl-6-[[4-[4-azanyl-3,5-bis(bromanyl)phenyl]-1,4-bis(oxidanylidene)-1-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butan-2-yl]amino]-6-oxidanylidene-hexyl]carbamate Openeye Name: benzyl N-[5-amino-6-[[3-(4-amino-3,5-dibromo-phenyl)-3-oxo-1-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]propyl]amino]-6-oxo-hexyl]carbamate CAS Name: N-[5-amino-6-[[4-(4-amino-3,5-dibromophenyl)-1,4-dioxo-1-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]butan-2-yl]amino]-6-oxohexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-amino-6-[[4-(4-amino-3,5-dibromophenyl)-1,4-dioxo-1-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butan-2-yl]amino]-6-oxohexyl]carbamate Traditional Name: N-[5-amino-6-[[3-(4-amino-3,5-dibromo-phenyl)-3-keto-1-[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]propyl]amino]-6-keto-hexyl]carbamic acid benzyl ester Formula: C38H45Br2N7O6 MolecularWeight: 855.6152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)C(CC(=O)C4=CC(=C(C(=C4)Br)N)Br)NC(=O)C(CCCCNC(=O)OCC5=CC=CC=C5)N

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)C(CC(=O)C4=CC(=C(C(=C4)Br)N)Br)NC(=O)C(CCCCNC(=O)OCC5=CC=CC=C5)N

InChI

InChI=1S/C38H45Br2N7O6/c39-28-20-26(21-29(40)34(28)42)33(48)22-32(44-35(49)30(41)11-6-7-16-43-38(52)53-23-24-8-2-1-3-9-24)36(50)46-17-14-27(15-18-46)47-19-13-25-10-4-5-12-31(25)45-37(47)51/h1-5,8-10,12,20-21,27,30,32H,6-7,11,13-19,22-23,41-42H2,(H,43,52)(H,44,49)(H,45,51)