(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-(5-methyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-(5-methyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-(5-methyl-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-(5-methyl-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(5-methyl-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-(5-methyl-1H-indol-3-yl)propionic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CC(C(=O)O)NC(=O)C(CC(C)C)N

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C18H25N3O3/c1-10(2)6-14(19)17(22)21-16(18(23)24)8-12-9-20-15-5-4-11(3)7-13(12)15/h4-5,7,9-10,14,16,20H,6,8,19H2,1-3H3,(H,21,22)(H,23,24)/t14-,16-/m0/s1