methyl (2S)-5-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl (2S)-5-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-5-[[(Z)-N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-tert-butoxycarbonyl-amino]pentanoate CAS Name: (2S)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(Z)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-[[(Z)-N,N'-bis(tert-butoxycarbonyl)amidino]-tert-butoxycarbonyl-amino]valeric acid methyl ester Formula: C30H46N4O10 MolecularWeight: 622.70704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N(CCCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=N/C(=O)OC(C)(C)C)/N(CCC[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H46N4O10/c1-28(2,3)42-25(37)32-23(33-26(38)43-29(4,5)6)34(27(39)44-30(7,8)9)18-14-17-21(22(35)40-10)31-24(36)41-19-20-15-12-11-13-16-20/h11-13,15-16,21H,14,17-19H2,1-10H3,(H,31,36)(H,32,33,37,38)/t21-/m0/s1