2-[8-[[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]carbamoyl]-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]carbamoyl]-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[[4-[(Z)-N'-tert-butoxycarbonylcarbamimidoyl]phenyl]carbamoyl]-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[4-[(Z)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]anilino]-oxomethyl]-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]carbamoyl]-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-[[4-[(Z)-N'-tert-butoxycarbonylamidino]phenyl]carbamoyl]-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid Formula: C32H37N5O5 MolecularWeight: 571.66668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C(C1=CC=C(C=C1)NC(=O)C2=CC3=C(CN(CC(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)/N=C(/C1=CC=C(C=C1)NC(=O)C2=CC3=C(CN(CC(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2)\N

InChI

InChI=1S/C32H37N5O5/c1-32(2,3)42-31(41)36-29(33)22-11-13-25(14-12-22)35-30(40)23-9-10-24-19-37(16-15-21-7-5-4-6-8-21)20-26(18-28(38)39)34-27(24)17-23/h4-14,17,26,34H,15-16,18-20H2,1-3H3,(H,35,40)(H,38,39)(H2,33,36,41)