(2R)-2-[6-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]hexylcarbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[6-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]hexylcarbamoylamino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[6-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoylamino]hexylcarbamoylamino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[[6-[[[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]amino]hexylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[6-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]carbamoylamino]hexylcarbamoylamino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[6-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoylamino]hexylcarbamoylamino]-3-phenyl-propionic acid Formula: C26H34N4O6 MolecularWeight: 498.57136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)NCCCCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)NCCCCCCNC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H34N4O6/c31-23(32)21(17-19-11-5-3-6-12-19)29-25(35)27-15-9-1-2-10-16-28-26(36)30-22(24(33)34)18-20-13-7-4-8-14-20/h3-8,11-14,21-22H,1-2,9-10,15-18H2,(H,31,32)(H,33,34)(H2,27,29,35)(H2,28,30,36)/t21-,22+