(2S)-3-(7aH-indol-3-yl)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(7aH-indol-3-yl)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]propanoic acid Openeye Name: (2S)-3-(7aH-indol-3-yl)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]propanoic acid CAS Name: (2S)-3-(7aH-indol-3-yl)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: (2S)-3-(7aH-indol-3-yl)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoic acid Traditional Name: (2S)-3-(7aH-indol-3-yl)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]propionic acid Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=C2C=CC=CC2N=C1)C(=O)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=C2C=CC=CC2N=C1)C(=O)O)N

InChI

InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,12-14H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t12?,13-,14-/m0/s1