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

Systemtic Name: (2S)-2-azanyl-N-[(3S)-3-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-oxidanyl-butyl]-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[(3S)-3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-hydroxy-butyl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[(3S)-3-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-hydroxybutyl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[(3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-hydroxybutyl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[(3S)-3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-hydroxy-butyl]-3-phenyl-propionamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCC(CO)NC(=O)C(CC2=CC=CC=C2)N)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC[C@@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)N)N

InChI

InChI=1S/C22H30N4O3/c23-19(13-16-7-3-1-4-8-16)21(28)25-12-11-18(15-27)26-22(29)20(24)14-17-9-5-2-6-10-17/h1-10,18-20,27H,11-15,23-24H2,(H,25,28)(H,26,29)/t18-,19-,20-/m0/s1