3-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]propionic acid Formula: C18H22ClN3O4 MolecularWeight: 379.83798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl

InChI

InChI=1S/C18H22ClN3O4/c1-10(2)16(18(26)20-7-6-15(23)24)21-17(25)14-9-11-8-12(19)4-5-13(11)22(14)3/h4-5,8-10,16H,6-7H2,1-3H3,(H,20,26)(H,21,25)(H,23,24)/t16-/m0/s1