methyl 2-[[2-azanyl-3-(1-cyclohexylcarbonylpyrrolidin-2-yl)-3-oxidanylidene-2-[(4-phenylmethoxyphenyl)methyl]propanoyl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: methyl 2-[[2-azanyl-3-(1-cyclohexylcarbonylpyrrolidin-2-yl)-3-oxidanylidene-2-[(4-phenylmethoxyphenyl)methyl]propanoyl]amino]-3-phenylmethoxy-propanoate Openeye Name: methyl 2-[[2-amino-2-[(4-benzyloxyphenyl)methyl]-3-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-3-oxo-propanoyl]amino]-3-benzyloxy-propanoate CAS Name: 2-[[2-amino-3-[1-[cyclohexyl(oxo)methyl]-2-pyrrolidinyl]-1,3-dioxo-2-[(4-phenylmethoxyphenyl)methyl]propyl]amino]-3-phenylmethoxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-amino-3-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: 2-[[2-amino-2-(4-benzoxybenzyl)-3-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-3-keto-propanoyl]amino]-3-benzoxy-propionic acid methyl ester Formula: C39H47N3O7 MolecularWeight: 669.80638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(COCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)(C(=O)C4CCCN4C(=O)C5CCCCC5)N

Isomeric SMILES

COC(=O)C(COCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)(C(=O)C4CCCN4C(=O)C5CCCCC5)N

InChI

InChI=1S/C39H47N3O7/c1-47-37(45)33(27-48-25-29-12-5-2-6-13-29)41-38(46)39(40,24-28-19-21-32(22-20-28)49-26-30-14-7-3-8-15-30)35(43)34-18-11-23-42(34)36(44)31-16-9-4-10-17-31/h2-3,5-8,12-15,19-22,31,33-34H,4,9-11,16-18,23-27,40H2,1H3,(H,41,46)