2-[carboxy-[2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]amino]-4-methyl-valeric acid Formula: C18H22ClN3O5 MolecularWeight: 395.83738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCNC(=O)C1=CC2=C(N1)C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCNC(=O)C1=CC2=C(N1)C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C18H22ClN3O5/c1-10(2)7-15(17(24)25)22(18(26)27)6-5-20-16(23)14-9-11-8-12(19)3-4-13(11)21-14/h3-4,8-10,15,21H,5-7H2,1-2H3,(H,20,23)(H,24,25)(H,26,27)