propan-2-yl 4-[[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-[[2-methyl-7-(naphthalen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-4-ium-6-yl]methyl]carbamoyl]amino]benzoate

Systemtic Name: propan-2-yl 4-[[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-[[2-methyl-7-(naphthalen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-4-ium-6-yl]methyl]carbamoyl]amino]benzoate Openeye Name: isopropyl 4-[[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-[[2-methyl-7-(2-naphthylmethyl)imidazo[2,1-b]thiazol-4-ium-6-yl]methyl]carbamoyl]amino]benzoate CAS Name: 4-[[[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-[[2-methyl-7-(2-naphthalenylmethyl)-6-imidazo[2,1-b]thiazol-4-iumyl]methyl]amino]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-[[2-methyl-7-(naphthalen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-4-ium-6-yl]methyl]carbamoyl]amino]benzoate Traditional Name: 4-[[[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-[[2-methyl-7-(2-naphthylmethyl)imidazo[2,1-b]thiazol-4-ium-6-yl]methyl]carbamoyl]amino]benzoic acid isopropyl ester Formula: C38H38N5O5S+ MolecularWeight: 676.80382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(S1)N(C(=C2)CN(C(CC3=CC=C(C=C3)O)C(=O)N)C(=O)NC4=CC=C(C=C4)C(=O)OC(C)C)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CC1=C[N+]2=C(S1)N(C(=C2)CN([C@@H](CC3=CC=C(C=C3)O)C(=O)N)C(=O)NC4=CC=C(C=C4)C(=O)OC(C)C)CC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C38H37N5O5S/c1-24(2)48-36(46)29-12-14-31(15-13-29)40-37(47)43(34(35(39)45)19-26-9-16-33(44)17-10-26)23-32-22-41-20-25(3)49-38(41)42(32)21-27-8-11-28-6-4-5-7-30(28)18-27/h4-18,20,22,24,34H,19,21,23H2,1-3H3,(H3-,39,40,44,45,46,47)/p+1/t34-/m0/s1