6-[[(2S)-2-(1H-indol-2-ylcarbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoic acid

Systemtic Name: 6-[[(2S)-2-(1H-indol-2-ylcarbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoic acid Openeye Name: 6-[[(2S)-5-(benzyloxycarbonylamino)-2-(1H-indole-2-carbonylamino)pentanoyl]amino]hexanoic acid CAS Name: 6-[[(2S)-2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]hexanoic acid IUPAC Name: 6-[[(2S)-2-(1H-indole-2-carbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoic acid Traditional Name: 6-[[(2S)-5-(benzyloxycarbonylamino)-2-(1H-indole-2-carbonylamino)pentanoyl]amino]hexanoic acid Formula: C28H34N4O6 MolecularWeight: 522.59276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)NCCCCCC(=O)O)NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC[C@@H](C(=O)NCCCCCC(=O)O)NC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C28H34N4O6/c33-25(34)15-5-2-8-16-29-26(35)23(32-27(36)24-18-21-12-6-7-13-22(21)31-24)14-9-17-30-28(37)38-19-20-10-3-1-4-11-20/h1,3-4,6-7,10-13,18,23,31H,2,5,8-9,14-17,19H2,(H,29,35)(H,30,37)(H,32,36)(H,33,34)/t23-/m0/s1