(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]amino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]-3-oxo-propyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-(methylamino)-1-oxo-3-phenylpropyl]amino]-3-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-3-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[[(2S)-3-hydroxy-3-keto-2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]propyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=CC=C1)C(=O)NC(CNC(CC2=CN=CN2)C(=O)O)C(=O)O

Isomeric SMILES

CN[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CN[C@@H](CC2=CN=CN2)C(=O)O)C(=O)O

InChI

InChI=1S/C19H25N5O5/c1-20-14(7-12-5-3-2-4-6-12)17(25)24-16(19(28)29)10-22-15(18(26)27)8-13-9-21-11-23-13/h2-6,9,11,14-16,20,22H,7-8,10H2,1H3,(H,21,23)(H,24,25)(H,26,27)(H,28,29)/t14-,15-,16-/m0/s1