methyl 2-[(2S,3R)-2-[2-[(1S,2R)-1-azanyl-2-oxidanyl-propyl]-1,3-thiazol-4-yl]-3-(4-methoxycarbonyl-1,3-thiazol-2-yl)-3-[[(2S)-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-4,5-dihydro-2H-pyridin-6-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[(2S,3R)-2-[2-[(1S,2R)-1-azanyl-2-oxidanyl-propyl]-1,3-thiazol-4-yl]-3-(4-methoxycarbonyl-1,3-thiazol-2-yl)-3-[[(2S)-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-4,5-dihydro-2H-pyridin-6-yl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[(2S,3R)-3-[[(2S)-2-(allyloxycarbonylamino)propanoyl]amino]-2-[2-[(1S,2R)-1-amino-2-hydroxy-propyl]thiazol-4-yl]-3-(4-methoxycarbonylthiazol-2-yl)-4,5-dihydro-2H-pyridin-6-yl]thiazole-4-carboxylate CAS Name: 2-[(2S,3R)-2-[2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-thiazolyl]-3-(4-methoxycarbonyl-2-thiazolyl)-3-[[(2S)-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]propyl]amino]-4,5-dihydro-2H-pyridin-6-yl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2S,3R)-2-[2-[(1S,2R)-1-amino-2-hydroxypropyl]-1,3-thiazol-4-yl]-3-(4-methoxycarbonyl-1,3-thiazol-2-yl)-3-[[(2S)-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-4,5-dihydro-2H-pyridin-6-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(2S,3R)-3-[[(2S)-2-(allyloxycarbonylamino)propanoyl]amino]-2-[2-[(1S,2R)-1-amino-2-hydroxy-propyl]thiazol-4-yl]-3-(4-carbomethoxythiazol-2-yl)-4,5-dihydro-2H-pyridin-6-yl]thiazole-4-carboxylic acid methyl ester Formula: C28H33N7O8S3 MolecularWeight: 691.79872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=NC(=CS1)C2C(CCC(=N2)C3=NC(=CS3)C(=O)OC)(C4=NC(=CS4)C(=O)OC)NC(=O)C(C)NC(=O)OCC=C)N)O

Isomeric SMILES

C[C@H]([C@@H](C1=NC(=CS1)[C@@H]2[C@](CCC(=N2)C3=NC(=CS3)C(=O)OC)(C4=NC(=CS4)C(=O)OC)NC(=O)[C@H](C)NC(=O)OCC=C)N)O

InChI

InChI=1S/C28H33N7O8S3/c1-6-9-43-27(40)30-13(2)21(37)35-28(26-34-18(12-46-26)25(39)42-5)8-7-15(22-33-17(11-44-22)24(38)41-4)31-20(28)16-10-45-23(32-16)19(29)14(3)36/h6,10-14,19-20,36H,1,7-9,29H2,2-5H3,(H,30,40)(H,35,37)/t13-,14+,19-,20+,28+/m0/s1