(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[phenylmethoxycarbonyl-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]hexanoic acid

Systemtic Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[phenylmethoxycarbonyl-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]hexanoic acid Openeye Name: (3S)-6-[benzyloxycarbonyl-[(E)-N'-benzyloxycarbonylcarbamimidoyl]amino]-3-(tert-butoxycarbonylamino)hexanoic acid CAS Name: (3S)-6-[[(E)-amino(phenylmethoxycarbonylimino)methyl]-phenylmethoxycarbonylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[phenylmethoxycarbonyl-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]hexanoic acid Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-6-[carbobenzoxy-[(E)-N'-carbobenzoxyamidino]amino]hexanoic acid Formula: C28H36N4O8 MolecularWeight: 556.60744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCN(C(=NC(=O)OCC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCN(/C(=N/C(=O)OCC1=CC=CC=C1)/N)C(=O)OCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C28H36N4O8/c1-28(2,3)40-26(36)30-22(17-23(33)34)15-10-16-32(27(37)39-19-21-13-8-5-9-14-21)24(29)31-25(35)38-18-20-11-6-4-7-12-20/h4-9,11-14,22H,10,15-19H2,1-3H3,(H,30,36)(H,33,34)(H2,29,31,35)/t22-/m0/s1