(phenylmethyl) N-[2-[(3R)-3-[[(2R,3S)-3-[methanoyl(oxidanyl)amino]-2-(2-methyl-3-phenyl-propyl)hexanoyl]amino]-2-methyl-4-oxidanylidene-4-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[(3R)-3-[[(2R,3S)-3-[methanoyl(oxidanyl)amino]-2-(2-methyl-3-phenyl-propyl)hexanoyl]amino]-2-methyl-4-oxidanylidene-4-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylethyl]carbamate Openeye Name: benzyl N-[2-[(2R)-2-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methyl-3-phenyl-propyl)hexanoyl]amino]-1,1-dimethyl-3-oxo-3-(thiazol-2-ylamino)propyl]sulfanylethyl]carbamate CAS Name: N-[2-[[(3R)-3-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methyl-3-phenylpropyl)-1-oxohexyl]amino]-2-methyl-4-oxo-4-(2-thiazolylamino)butan-2-yl]thio]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[(3R)-3-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methyl-3-phenylpropyl)hexanoyl]amino]-2-methyl-4-oxo-4-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylethyl]carbamate Traditional Name: N-[2-[[(2R)-2-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methyl-3-phenyl-propyl)hexanoyl]amino]-3-keto-1,1-dimethyl-3-(thiazol-2-ylamino)propyl]thio]ethyl]carbamic acid benzyl ester Formula: C35H47N5O6S2 MolecularWeight: 697.90758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)CC1=CC=CC=C1)C(=O)NC(C(=O)NC2=NC=CS2)C(C)(C)SCCNC(=O)OCC3=CC=CC=C3)N(C=O)O

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)CC1=CC=CC=C1)C(=O)N[C@H](C(=O)NC2=NC=CS2)C(C)(C)SCCNC(=O)OCC3=CC=CC=C3)N(C=O)O

InChI

InChI=1S/C35H47N5O6S2/c1-5-12-29(40(45)24-41)28(22-25(2)21-26-13-8-6-9-14-26)31(42)38-30(32(43)39-33-36-17-19-47-33)35(3,4)48-20-18-37-34(44)46-23-27-15-10-7-11-16-27/h6-11,13-17,19,24-25,28-30,45H,5,12,18,20-23H2,1-4H3,(H,37,44)(H,38,42)(H,36,39,43)/t25?,28-,29+,30-/m1/s1