methyl (2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

InChI

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