(2S)-2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-pentanoic acid hydrate

Systemtic Name: (2S)-2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-pentanoic acid hydrate Openeye Name: (2S)-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-pentanoic acid hydrate CAS Name: (2S)-2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-methylpentanoic acid hydrate IUPAC Name: (2S)-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid hydrate Traditional Name: (2S)-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-valeric acid hydrate Formula: C24H42N8O7 MolecularWeight: 554.63968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N.CCC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N.O

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)NC(=O)C(CC1=CN=CN1)N.CCC(C)[C@@H](C(=O)O)NC(=O)C(CC1=CN=CN1)N.O

InChI

InChI=1S/2C12H20N4O3.H2O/c2*1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8;/h2*5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19);1H2/t2*7?,9?,10-;/m00./s1