(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-5-[[(5S)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-6-oxidanylidene-6-phenylmethoxy-hexyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-5-[[(5S)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-6-oxidanylidene-6-phenylmethoxy-hexyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[benzyl(tert-butoxycarbonyl)amino]-5-[[(5S)-5-[[(2S)-2-[benzyl(tert-butoxycarbonyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]-6-benzyloxy-6-oxo-hexyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(5S)-5-[[(2S)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-1,5-dioxopentyl]amino]-6-oxo-6-phenylmethoxyhexyl]amino]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[(5S)-5-[[(2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-6-oxo-6-phenylmethoxyhexyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(5S)-6-benzoxy-5-[[(2S)-2-[benzyl(tert-butoxycarbonyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]-6-keto-hexyl]amino]-4-[benzyl(tert-butoxycarbonyl)amino]-5-keto-valeric acid Formula: C47H62N4O12 MolecularWeight: 875.01478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C(CCC(=O)O)C(=O)NCCCCC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CCC(=O)O)N(CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)[C@@H](CCC(=O)O)C(=O)NCCCC[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)N(CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C47H62N4O12/c1-46(2,3)62-44(59)50(30-33-18-10-7-11-19-33)37(25-27-39(52)53)41(56)48-29-17-16-24-36(43(58)61-32-35-22-14-9-15-23-35)49-42(57)38(26-28-40(54)55)51(45(60)63-47(4,5)6)31-34-20-12-8-13-21-34/h7-15,18-23,36-38H,16-17,24-32H2,1-6H3,(H,48,56)(H,49,57)(H,52,53)(H,54,55)/t36-,37-,38-/m0/s1