(3S)-3-[2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]-4-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]-4-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-4-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-[[(1S)-2-amino-2-keto-1-methylol-ethyl]amino]-4-keto-butyric acid Formula: C17H25N7O8 MolecularWeight: 455.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN=CN1)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N

InChI

InChI=1S/C17H25N7O8/c1-8(26)22-10(2-9-4-19-7-21-9)16(31)20-5-13(27)23-11(3-14(28)29)17(32)24-12(6-25)15(18)30/h4,7,10-12,25H,2-3,5-6H2,1H3,(H2,18,30)(H,19,21)(H,20,31)(H,22,26)(H,23,27)(H,24,32)(H,28,29)/t10-,11-,12-/m0/s1