(2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid; (2S)-2-azanyl-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid; (2S)-2-azanyl-4-methyl-pentanoic acid Openeye Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; (2S)-2-amino-4-methyl-pentanoic acid CAS Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; (2S)-2-amino-4-methylpentanoic acid IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; (2S)-2-amino-4-methylpentanoic acid Traditional Name: (2S)-2-amino-3-(1H-indol-3-yl)propionic acid; (2S)-2-amino-4-methyl-valeric acid Formula: C28H37N5O6 MolecularWeight: 539.62328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N

InChI

InChI=1S/2C11H12N2O2.C6H13NO2/c2*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-4(2)3-5(7)6(8)9/h2*1-4,6,9,13H,5,12H2,(H,14,15);4-5H,3,7H2,1-2H3,(H,8,9)/t2*9-;5-/m000/s1