(2S)-N-(4-azanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl)-2-[[(2R)-2-azanylpropanoyl]amino]-4-phenyl-butanamide

Systemtic Name: (2S)-N-(4-azanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl)-2-[[(2R)-2-azanylpropanoyl]amino]-4-phenyl-butanamide Openeye Name: (2S)-N-[3-amino-1-(phenylcarbamoyl)propyl]-2-[[(2R)-2-aminopropanoyl]amino]-4-phenyl-butanamide CAS Name: (2S)-N-(4-amino-1-anilino-1-oxobutan-2-yl)-2-[[(2R)-2-amino-1-oxopropyl]amino]-4-phenylbutanamide IUPAC Name: (2S)-N-(4-amino-1-anilino-1-oxobutan-2-yl)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanamide Traditional Name: (2S)-N-[3-amino-1-(phenylcarbamoyl)propyl]-2-[[(2R)-2-aminopropanoyl]amino]-4-phenyl-butyramide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-16(25)21(29)27-19(13-12-17-8-4-2-5-9-17)23(31)28-20(14-15-24)22(30)26-18-10-6-3-7-11-18/h2-11,16,19-20H,12-15,24-25H2,1H3,(H,26,30)(H,27,29)(H,28,31)/t16-,19+,20?/m1/s1