(1S,2S,3S)-2-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]-3-phenethyl-cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S,3S)-2-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]-3-phenethyl-cyclopropane-1-carboxylic acid Openeye Name: (1S,2S,3S)-2-[1-amino-2-hydroxy-2-oxo-1-(9H-xanthen-9-ylmethyl)ethyl]-3-phenethyl-cyclopropanecarboxylic acid CAS Name: (1S,2S,3S)-2-[2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]-3-phenethyl-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S,3S)-2-[2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]-3-phenethylcyclopropane-1-carboxylic acid Traditional Name: (1S,2S,3S)-2-[1-amino-2-hydroxy-2-keto-1-(9H-xanthen-9-ylmethyl)ethyl]-3-phenethyl-cyclopropanecarboxylic acid Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2C(C2C(CC3C4=CC=CC=C4OC5=CC=CC=C35)(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H]2[C@@H]([C@H]2C(CC3C4=CC=CC=C4OC5=CC=CC=C35)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C28H27NO5/c29-28(27(32)33,25-20(24(25)26(30)31)15-14-17-8-2-1-3-9-17)16-21-18-10-4-6-12-22(18)34-23-13-7-5-11-19(21)23/h1-13,20-21,24-25H,14-16,29H2,(H,30,31)(H,32,33)/t20-,24+,25+,28?/m1/s1