(2S)-2-azanyl-3-(1H-indol-3-yl)-N-[2-oxidanylidene-2-(3-oxidanylpropylamino)ethyl]propanamide

Systemtic Name: (2S)-2-azanyl-3-(1H-indol-3-yl)-N-[2-oxidanylidene-2-(3-oxidanylpropylamino)ethyl]propanamide Openeye Name: (2S)-2-amino-N-[2-(3-hydroxypropylamino)-2-oxo-ethyl]-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-2-amino-N-[2-(3-hydroxypropylamino)-2-oxoethyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: (2S)-2-amino-N-[2-(3-hydroxypropylamino)-2-oxoethyl]-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-2-amino-N-[2-(3-hydroxypropylamino)-2-keto-ethyl]-3-(1H-indol-3-yl)propionamide Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)NCCCO)N

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3/c17-13(16(23)20-10-15(22)18-6-3-7-21)8-11-9-19-14-5-2-1-4-12(11)14/h1-2,4-5,9,13,19,21H,3,6-8,10,17H2,(H,18,22)(H,20,23)/t13-/m0/s1