(2S)-2-(2-acetamidoethanoylamino)-N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]butanediamide

Systemtic Name: (2S)-2-(2-acetamidoethanoylamino)-N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]butanediamide Openeye Name: (2S)-2-[(2-acetamidoacetyl)amino]-N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]butanediamide CAS Name: (2S)-2-[(2-acetamido-1-oxoethyl)amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide IUPAC Name: (2S)-2-[(2-acetamidoacetyl)amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide Traditional Name: (2S)-2-[(2-acetamidoacetyl)amino]-N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]succinamide Formula: C19H24N6O5 MolecularWeight: 416.43106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O5/c1-10(26)22-9-17(28)24-15(7-16(20)27)19(30)25-14(18(21)29)6-11-8-23-13-5-3-2-4-12(11)13/h2-5,8,14-15,23H,6-7,9H2,1H3,(H2,20,27)(H2,21,29)(H,22,26)(H,24,28)(H,25,30)/t14-,15-/m0/s1