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

Systemtic Name: ethyl 6-methyl-2-[[2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-pyridin-2-yl-propanoyl]amino]-2-oxidanyl-heptanoate Openeye Name: ethyl 2-[[2-[[2-(benzyloxycarbonylamino)-3-(1-naphthyl)propanoyl]amino]-3-(2-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-(2-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-2-ylpropanoyl]amino]heptanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-(1-naphthyl)propanoyl]amino]-3-(2-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=CC=CC=N1)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=CC=CC=N1)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(48,22-13-14-27(2)3)43-36(45)34(25-31-20-10-11-23-40-31)41-35(44)33(42-38(47)50-26-28-15-6-5-7-16-28)24-30-19-12-18-29-17-8-9-21-32(29)30/h5-12,15-21,23,27,33-34,48H,4,13-14,22,24-26H2,1-3H3,(H,41,44)(H,42,47)(H,43,45)