3-[[(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-methyl-hexanoyl]amino]-4-oxidanylidene-4-(phenethylamino)butanoic acid

Systemtic Name: 3-[[(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-methyl-hexanoyl]amino]-4-oxidanylidene-4-(phenethylamino)butanoic acid Openeye Name: 3-[[(3S)-3-[[(2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-methyl-hexanoyl]amino]-4-oxo-4-(phenethylamino)butanoic acid CAS Name: 3-[[(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-5-methyl-1-oxohexyl]amino]-4-oxo-4-(phenethylamino)butanoic acid IUPAC Name: 3-[[(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-methylhexanoyl]amino]-4-oxo-4-(phenethylamino)butanoic acid Traditional Name: 3-[[(3S)-3-[[(2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-methyl-hexanoyl]amino]-4-keto-4-(phenethylamino)butyric acid Formula: C35H47N5O7 MolecularWeight: 649.77698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NC(CC(=O)O)C(=O)NCCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](CC(=O)NC(CC(=O)O)C(=O)NCCC1=CC=CC=C1)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H47N5O7/c1-22(2)17-25(19-30(41)39-29(20-31(42)43)32(44)36-16-15-23-11-7-6-8-12-23)38-33(45)28(40-34(46)47-35(3,4)5)18-24-21-37-27-14-10-9-13-26(24)27/h6-14,21-22,25,28-29,37H,15-20H2,1-5H3,(H,36,44)(H,38,45)(H,39,41)(H,40,46)(H,42,43)/t25-,28+,29?/m0/s1