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

Systemtic Name: (2S)-2-azanyl-N-[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-oxidanyl-propyl]-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-hydroxy-propyl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-hydroxypropyl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropyl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-hydroxy-propyl]-3-phenyl-propionamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c22-18(11-15-7-3-1-4-8-15)20(27)24-13-17(14-26)25-21(28)19(23)12-16-9-5-2-6-10-16/h1-10,17-19,26H,11-14,22-23H2,(H,24,27)(H,25,28)/t17-,18-,19-/m0/s1