(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)cyclopropyl]carbonylamino]pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)cyclopropyl]carbonylamino]pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-(benzyloxycarbonylamino)cyclopropanecarbonyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[2-(phenylmethoxycarbonylamino)cyclopropyl]methyl]amino]pentyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]pentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-(benzyloxycarbonylamino)cyclopropanecarbonyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C29H34N4O6 MolecularWeight: 534.60346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3CC3NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3CC3NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O6/c1-17(2)12-24(27(35)32-25(28(36)37)13-19-15-30-22-11-7-6-10-20(19)22)31-26(34)21-14-23(21)33-29(38)39-16-18-8-4-3-5-9-18/h3-11,15,17,21,23-25,30H,12-14,16H2,1-2H3,(H,31,34)(H,32,35)(H,33,38)(H,36,37)/t21?,23?,24-,25-/m0/s1