cyclohexyl (4S)-4-azanyl-5-[[(2S)-5-cyclohexyloxy-1,5-bis(oxidanylidene)-1-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]pentan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: cyclohexyl (4S)-4-azanyl-5-[[(2S)-5-cyclohexyloxy-1,5-bis(oxidanylidene)-1-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]pentan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: cyclohexyl (4S)-4-amino-5-[[(1S)-1-[(2-benzyloxy-2-oxo-ethyl)carbamoyl]-4-(cyclohexoxy)-4-oxo-butyl]amino]-5-oxo-pentanoate CAS Name: (4S)-4-amino-5-[[(2S)-5-cyclohexyloxy-1,5-dioxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]pentan-2-yl]amino]-5-oxopentanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-4-amino-5-[[(2S)-5-cyclohexyloxy-1,5-dioxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]pentan-2-yl]amino]-5-oxopentanoate Traditional Name: (4S)-4-amino-5-[[(1S)-1-[(2-benzoxy-2-keto-ethyl)carbamoyl]-4-(cyclohexoxy)-4-keto-butyl]amino]-5-keto-valeric acid cyclohexyl ester Formula: C31H45N3O8 MolecularWeight: 587.7043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CCC(C(=O)NC(CCC(=O)OC2CCCCC2)C(=O)NCC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)OC2CCCCC2)C(=O)NCC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C31H45N3O8/c32-25(16-18-27(35)41-23-12-6-2-7-13-23)30(38)34-26(17-19-28(36)42-24-14-8-3-9-15-24)31(39)33-20-29(37)40-21-22-10-4-1-5-11-22/h1,4-5,10-11,23-26H,2-3,6-9,12-21,32H2,(H,33,39)(H,34,38)/t25-,26-/m0/s1