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

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