(2S)-5-(aminocarbonylamino)-2-[(4,7-dimethoxy-1H-indol-2-yl)carbonylamino]pentanoic acid

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[(4,7-dimethoxy-1H-indol-2-yl)carbonylamino]pentanoic acid Openeye Name: (2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]-5-ureido-pentanoic acid CAS Name: (2S)-5-(carbamoylamino)-2-[[(4,7-dimethoxy-1H-indol-2-yl)-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-(carbamoylamino)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]pentanoic acid Traditional Name: (2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]-5-ureido-valeric acid Formula: C17H22N4O6 MolecularWeight: 378.37978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(NC2=C(C=C1)OC)C(=O)NC(CCCNC(=O)N)C(=O)O

Isomeric SMILES

COC1=C2C=C(NC2=C(C=C1)OC)C(=O)N[C@@H](CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C17H22N4O6/c1-26-12-5-6-13(27-2)14-9(12)8-11(20-14)15(22)21-10(16(23)24)4-3-7-19-17(18)25/h5-6,8,10,20H,3-4,7H2,1-2H3,(H,21,22)(H,23,24)(H3,18,19,25)/t10-/m0/s1