ethyl 6-methyl-2-[[4-methyl-2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoyl]amino]-2-oxidanyl-heptanoate

Systemtic Name: ethyl 6-methyl-2-[[4-methyl-2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoyl]amino]-2-oxidanyl-heptanoate Openeye Name: ethyl 2-[[2-[[2-(benzyloxycarbonylamino)-3-(1-naphthyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-2-hydroxy-6-methyl-heptanoate CAS Name: 2-hydroxy-6-methyl-2-[[4-methyl-2-[[3-(1-naphthalenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxopentyl]amino]heptanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-6-methyl-2-[[4-methyl-2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoyl]amino]heptanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-(1-naphthyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-2-hydroxy-6-methyl-enanthic acid ethyl ester Formula: C37H49N3O7 MolecularWeight: 647.80086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(C)C)(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C(CCCC(C)C)(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C37H49N3O7/c1-6-46-35(43)37(45,21-13-14-25(2)3)40-34(42)31(22-26(4)5)38-33(41)32(39-36(44)47-24-27-15-8-7-9-16-27)23-29-19-12-18-28-17-10-11-20-30(28)29/h7-12,15-20,25-26,31-32,45H,6,13-14,21-24H2,1-5H3,(H,38,41)(H,39,44)(H,40,42)