(2S)-2-(2-acetamidoethanoylamino)-N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanediamide

Systemtic Name: (2S)-2-(2-acetamidoethanoylamino)-N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanediamide Openeye Name: (2S)-2-[(2-acetamidoacetyl)amino]-N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanediamide CAS Name: (2S)-2-[(2-acetamido-1-oxoethyl)amino]-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide IUPAC Name: (2S)-2-[(2-acetamidoacetyl)amino]-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide Traditional Name: (2S)-2-[(2-acetamidoacetyl)amino]-N-[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]succinamide Formula: C17H23N5O6 MolecularWeight: 393.39442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O6/c1-9(23)20-8-15(26)21-13(7-14(18)25)17(28)22-12(16(19)27)6-10-2-4-11(24)5-3-10/h2-5,12-13,24H,6-8H2,1H3,(H2,18,25)(H2,19,27)(H,20,23)(H,21,26)(H,22,28)/t12-,13-/m0/s1