tert-butyl N-[(2S,3R)-1-[[(2S)-3-(3-ethyl-1,3-thiazol-3-ium-4-yl)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate iodide

Systemtic Name: tert-butyl N-[(2S,3R)-1-[[(2S)-3-(3-ethyl-1,3-thiazol-3-ium-4-yl)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate iodide Openeye Name: tert-butyl N-[(1S,2R)-2-benzyloxy-1-[[(1S)-1-[(3-ethylthiazol-3-ium-4-yl)methyl]-2-[[(1S)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]propyl]carbamate iodide CAS Name: N-[(2S,3R)-1-[[(2S)-3-(3-ethyl-4-thiazol-3-iumyl)-1-[[(1S)-1-(1-naphthalenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamic acid tert-butyl ester iodide IUPAC Name: tert-butyl N-[(2S,3R)-1-[[(2S)-3-(3-ethyl-1,3-thiazol-3-ium-4-yl)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate iodide Traditional Name: N-[(1S,2R)-2-benzoxy-1-[[(1S)-1-[(3-ethylthiazol-3-ium-4-yl)methyl]-2-keto-2-[[(1S)-1-(1-naphthyl)ethyl]amino]ethyl]carbamoyl]propyl]carbamic acid tert-butyl ester iodide Formula: C36H45IN4O5S MolecularWeight: 772.73577

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CSC=C1CC(C(=O)NC(C)C2=CC=CC3=CC=CC=C32)NC(=O)C(C(C)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C.[I-]

Isomeric SMILES

CC[N+]1=CSC=C1C[C@@H](C(=O)N[C@@H](C)C2=CC=CC3=CC=CC=C32)NC(=O)[C@H]([C@@H](C)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C.[I-]

InChI

InChI=1S/C36H44N4O5S.HI/c1-7-40-23-46-22-28(40)20-31(33(41)37-24(2)29-19-13-17-27-16-11-12-18-30(27)29)38-34(42)32(39-35(43)45-36(4,5)6)25(3)44-21-26-14-9-8-10-15-26;/h8-19,22-25,31-32H,7,20-21H2,1-6H3,(H2-,37,38,39,41,42,43);1H/t24-,25+,31-,32-;/m0./s1