(2S)-2-azanyl-N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide Openeye Name: (2S)-2-amino-N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide CAS Name: (2S)-2-amino-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide IUPAC Name: (2S)-2-amino-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide Traditional Name: (2S)-2-amino-N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-3-(4-hydroxyphenyl)propionamide Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C20H22N4O3/c21-16(9-12-5-7-14(25)8-6-12)20(27)24-18(19(22)26)10-13-11-23-17-4-2-1-3-15(13)17/h1-8,11,16,18,23,25H,9-10,21H2,(H2,22,26)(H,24,27)/t16-,18-/m0/s1