2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[[5-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)pentanoyl]amino]-3-(2-naphthyl)propanoic acid CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[[5-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)pentanoyl]amino]-3-(2-naphthyl)propionic acid Formula: C31H37N3O7 MolecularWeight: 563.64138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C31H37N3O7/c1-31(2,3)41-30(39)34-25(14-9-17-32-29(38)40-20-21-10-5-4-6-11-21)27(35)33-26(28(36)37)19-22-15-16-23-12-7-8-13-24(23)18-22/h4-8,10-13,15-16,18,25-26H,9,14,17,19-20H2,1-3H3,(H,32,38)(H,33,35)(H,34,39)(H,36,37)