(2S)-2-azanyl-N-[3-[[(2S)-2-azanyl-3-oxidanyl-3-phenyl-propanoyl]amino]-4-oxidanyl-butyl]-3-oxidanyl-3-phenyl-propanamide

Systemtic Name: (2S)-2-azanyl-N-[3-[[(2S)-2-azanyl-3-oxidanyl-3-phenyl-propanoyl]amino]-4-oxidanyl-butyl]-3-oxidanyl-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[3-[[(2S)-2-amino-3-hydroxy-3-phenyl-propanoyl]amino]-4-hydroxy-butyl]-3-hydroxy-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[3-[[(2S)-2-amino-3-hydroxy-1-oxo-3-phenylpropyl]amino]-4-hydroxybutyl]-3-hydroxy-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[3-[[(2S)-2-amino-3-hydroxy-3-phenylpropanoyl]amino]-4-hydroxybutyl]-3-hydroxy-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[3-[[(2S)-2-amino-3-hydroxy-3-phenyl-propanoyl]amino]-4-hydroxy-butyl]-3-hydroxy-3-phenyl-propionamide Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)NCCC(CO)NC(=O)C(C(C2=CC=CC=C2)O)N)N)O

Isomeric SMILES

C1=CC=C(C=C1)C([C@@H](C(=O)NCCC(CO)NC(=O)[C@H](C(C2=CC=CC=C2)O)N)N)O

InChI

InChI=1S/C22H30N4O5/c23-17(19(28)14-7-3-1-4-8-14)21(30)25-12-11-16(13-27)26-22(31)18(24)20(29)15-9-5-2-6-10-15/h1-10,16-20,27-29H,11-13,23-24H2,(H,25,30)(H,26,31)/t16?,17-,18-,19?,20?/m0/s1