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

Systemtic Name: ethyl 6-methyl-2-[[2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-pyridin-3-yl-propanoyl]amino]-2-oxidanyl-heptanoate Openeye Name: ethyl 2-[[2-[[2-(benzyloxycarbonylamino)-3-(1-naphthyl)propanoyl]amino]-3-(3-pyridyl)propanoyl]amino]-2-hydroxy-6-methyl-heptanoate CAS Name: 2-hydroxy-6-methyl-2-[[2-[[3-(1-naphthalenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxo-3-(3-pyridinyl)propyl]amino]heptanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-6-methyl-2-[[2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]heptanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-(1-naphthyl)propanoyl]amino]-3-(3-pyridyl)propanoyl]amino]-2-hydroxy-6-methyl-enanthic acid ethyl ester Formula: C39H46N4O7 MolecularWeight: 682.80514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(C)C)(NC(=O)C(CC1=CN=CC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C(CCCC(C)C)(NC(=O)C(CC1=CN=CC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C39H46N4O7/c1-4-49-37(46)39(48,21-11-13-27(2)3)43-36(45)33(23-29-16-12-22-40-25-29)41-35(44)34(42-38(47)50-26-28-14-6-5-7-15-28)24-31-19-10-18-30-17-8-9-20-32(30)31/h5-10,12,14-20,22,25,27,33-34,48H,4,11,13,21,23-24,26H2,1-3H3,(H,41,44)(H,42,47)(H,43,45)