4-methyl-2-[[3-naphthalen-1-yl-2-[[3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-naphthalen-1-yl-2-[[3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]pentanoic acid Openeye Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-(2-naphthyl)propanoyl]amino]-3-(1-naphthyl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[3-(1-naphthalenyl)-2-[[3-(2-naphthalenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxopropyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-naphthalen-1-yl-2-[[3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]pentanoic acid Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-(2-naphthyl)propanoyl]amino]-3-(1-naphthyl)propanoyl]amino]-4-methyl-valeric acid Formula: C40H41N3O6 MolecularWeight: 659.77004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C40H41N3O6/c1-26(2)21-36(39(46)47)42-38(45)35(24-32-17-10-16-30-14-8-9-18-33(30)32)41-37(44)34(43-40(48)49-25-27-11-4-3-5-12-27)23-28-19-20-29-13-6-7-15-31(29)22-28/h3-20,22,26,34-36H,21,23-25H2,1-2H3,(H,41,44)(H,42,45)(H,43,48)(H,46,47)