(4S)-5-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-4-(phenethylcarbamoylamino)pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-4-(phenethylcarbamoylamino)pentanoic acid Openeye Name: (4S)-5-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-5-oxo-4-(phenethylcarbamoylamino)pentanoic acid CAS Name: (4S)-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxo-4-[[oxo-(phenethylamino)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxo-4-(phenethylcarbamoylamino)pentanoic acid Traditional Name: (4S)-5-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-5-keto-4-(phenethylcarbamoylamino)valeric acid Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C23H28N4O5/c24-21(30)19(15-17-9-5-2-6-10-17)26-22(31)18(11-12-20(28)29)27-23(32)25-14-13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H2,24,30)(H,26,31)(H,28,29)(H2,25,27,32)/t18-,19-/m0/s1