(2S)-5-(aminocarbonylamino)-2-[3-(2-phenylindol-1-yl)propanoylamino]pentanoic acid

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[3-(2-phenylindol-1-yl)propanoylamino]pentanoic acid Openeye Name: (2S)-2-[3-(2-phenylindol-1-yl)propanoylamino]-5-ureido-pentanoic acid CAS Name: (2S)-5-(carbamoylamino)-2-[[1-oxo-3-(2-phenyl-1-indolyl)propyl]amino]pentanoic acid IUPAC Name: (2S)-5-(carbamoylamino)-2-[3-(2-phenylindol-1-yl)propanoylamino]pentanoic acid Traditional Name: (2S)-2-[3-(2-phenylindol-1-yl)propanoylamino]-5-ureido-valeric acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CCC(=O)NC(CCCNC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CCC(=O)N[C@@H](CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C23H26N4O4/c24-23(31)25-13-6-10-18(22(29)30)26-21(28)12-14-27-19-11-5-4-9-17(19)15-20(27)16-7-2-1-3-8-16/h1-5,7-9,11,15,18H,6,10,12-14H2,(H,26,28)(H,29,30)(H3,24,25,31)/t18-/m0/s1