phenylmethoxycarbonyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]pentanoate

Systemtic Name: phenylmethoxycarbonyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]pentanoate Openeye Name: benzyloxycarbonyl (2S)-2-[benzyloxycarbonyl(tert-butoxycarbonyl)amino]-5-guanidino-pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenylmethoxycarbonylamino]pentanoic acid phenylmethoxycarbonyl ester IUPAC Name: phenylmethoxycarbonyl (2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]pentanoate Traditional Name: (2S)-2-[tert-butoxycarbonyl(carbobenzoxy)amino]-5-guanidino-valeric acid carbobenzoxy ester Formula: C27H34N4O8 MolecularWeight: 542.58086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O8/c1-27(2,3)39-25(34)31(24(33)36-17-19-11-6-4-7-12-19)21(15-10-16-30-23(28)29)22(32)38-26(35)37-18-20-13-8-5-9-14-20/h4-9,11-14,21H,10,15-18H2,1-3H3,(H4,28,29,30)/t21-/m0/s1