(phenylmethyl) 2-[[2-[[5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[2-[[5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[2-[[5-amino-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[5-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[[5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[5-amino-2-(tert-butoxycarbonylamino)-5-keto-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C37H43N5O7 MolecularWeight: 669.76662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H43N5O7/c1-37(2,3)49-36(47)42-29(18-19-32(38)43)33(44)40-30(21-26-22-39-28-17-11-10-16-27(26)28)34(45)41-31(20-24-12-6-4-7-13-24)35(46)48-23-25-14-8-5-9-15-25/h4-17,22,29-31,39H,18-21,23H2,1-3H3,(H2,38,43)(H,40,44)(H,41,45)(H,42,47)