(1S)-2-[(2R)-4-(2-adamantyl)-2-azanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S)-2-[(2R)-4-(2-adamantyl)-2-azanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S)-2-[(1R)-3-(2-adamantyl)-1-amino-1-carboxy-propyl]cyclopropanecarboxylic acid CAS Name: (1S)-2-[(2R)-4-(2-adamantyl)-2-amino-1-hydroxy-1-oxobutan-2-yl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S)-2-[(2R)-4-(2-adamantyl)-2-amino-1-hydroxy-1-oxobutan-2-yl]cyclopropane-1-carboxylic acid Traditional Name: (1S)-2-[(1R)-3-(2-adamantyl)-1-amino-1-carboxy-propyl]cyclopropanecarboxylic acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3CCC(C4CC4C(=O)O)(C(=O)O)N

Isomeric SMILES

C1[C@@H](C1[C@](CCC2C3CC4CC(C3)CC2C4)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C18H27NO4/c19-18(17(22)23,15-8-14(15)16(20)21)2-1-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-15H,1-8,19H2,(H,20,21)(H,22,23)/t9?,10?,11?,12?,13?,14-,15?,18+/m0/s1