2-[(2S)-2-[[(2S)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]piperidin-1-yl]ethylsulfanylmethylphosphonic acid

Systemtic Name: 2-[(2S)-2-[[(2S)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]piperidin-1-yl]ethylsulfanylmethylphosphonic acid Openeye Name: 2-[(2S)-2-[[(1S)-2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]-1-piperidyl]ethylsulfanylmethylphosphonic acid CAS Name: [2-[(2S)-2-[[[(2S)-1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-piperidinyl]ethylthio]methylphosphonic acid IUPAC Name: 2-[(2S)-2-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]ethylsulfanylmethylphosphonic acid Traditional Name: [2-[(2S)-2-[[(1S)-2-amino-2-keto-1-(2-naphthylmethyl)ethyl]carbamoyl]piperidino]ethylthio]methylphosphonic acid Formula: C22H30N3O5PS MolecularWeight: 479.529461

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N)CCSCP(=O)(O)O

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)N[C@@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N)CCSCP(=O)(O)O

InChI

InChI=1S/C22H30N3O5PS/c23-21(26)19(14-16-8-9-17-5-1-2-6-18(17)13-16)24-22(27)20-7-3-4-10-25(20)11-12-32-15-31(28,29)30/h1-2,5-6,8-9,13,19-20H,3-4,7,10-12,14-15H2,(H2,23,26)(H,24,27)(H2,28,29,30)/t19-,20-/m0/s1