(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]pentyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(1S)-1-[(2-amino-2-keto-ethyl)carbamoyl]pentyl]pyrrolidine-2-carboxamide Formula: C22H33N5O5 MolecularWeight: 447.52792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C22H33N5O5/c1-2-3-5-17(20(30)25-13-19(24)29)26-21(31)18-6-4-11-27(18)22(32)16(23)12-14-7-9-15(28)10-8-14/h7-10,16-18,28H,2-6,11-13,23H2,1H3,(H2,24,29)(H,25,30)(H,26,31)/t16-,17-,18-/m0/s1