(2S)-N-(3-azanyl-1-oxidanylidene-1-phenylazanyl-propan-2-yl)-2-[[(2R)-2-azanylpropanoyl]amino]-4-phenyl-butanamide

Systemtic Name: (2S)-N-(3-azanyl-1-oxidanylidene-1-phenylazanyl-propan-2-yl)-2-[[(2R)-2-azanylpropanoyl]amino]-4-phenyl-butanamide Openeye Name: (2S)-N-[1-(aminomethyl)-2-anilino-2-oxo-ethyl]-2-[[(2R)-2-aminopropanoyl]amino]-4-phenyl-butanamide CAS Name: (2S)-N-(3-amino-1-anilino-1-oxopropan-2-yl)-2-[[(2R)-2-amino-1-oxopropyl]amino]-4-phenylbutanamide IUPAC Name: (2S)-N-(3-amino-1-anilino-1-oxopropan-2-yl)-2-[[(2R)-2-aminopropanoyl]amino]-4-phenylbutanamide Traditional Name: (2S)-N-[1-(aminomethyl)-2-anilino-2-keto-ethyl]-2-[[(2R)-2-aminopropanoyl]amino]-4-phenyl-butyramide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-15(24)20(28)26-18(13-12-16-8-4-2-5-9-16)21(29)27-19(14-23)22(30)25-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14,23-24H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t15-,18+,19?/m1/s1