8-azanyl-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]amino]-4-phenyl-butanoyl]amino]-N-phenyl-octanamide

Systemtic Name: 8-azanyl-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]amino]-4-phenyl-butanoyl]amino]-N-phenyl-octanamide Openeye Name: 8-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenyl-butanoyl]amino]-N-phenyl-octanamide CAS Name: 8-amino-2-[[(2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]amino]-N-phenyloctanamide IUPAC Name: 8-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanoyl]amino]-N-phenyloctanamide Traditional Name: 8-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenyl-butanoyl]amino]-N-phenyl-caprylamide Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC1=CC=CC=C1)C(=O)NC(CCCCCCN)C(=O)NC2=CC=CC=C2)N

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)NC(CCCCCCN)C(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C27H39N5O3/c1-20(29)25(33)31-24(18-17-21-12-6-4-7-13-21)27(35)32-23(16-10-2-3-11-19-28)26(34)30-22-14-8-5-9-15-22/h4-9,12-15,20,23-24H,2-3,10-11,16-19,28-29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t20-,23?,24+/m1/s1