(2R,3S)-N-[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-3-[methanoyl(oxidanyl)amino]-7-methyl-2-(3-phenylpropyl)octanamide

Systemtic Name: (2R,3S)-N-[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-3-[methanoyl(oxidanyl)amino]-7-methyl-2-(3-phenylpropyl)octanamide Openeye Name: (2R,3S)-N-[(1S)-4-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]-1-(thiazol-2-ylcarbamoyl)butyl]-3-[formyl(hydroxy)amino]-7-methyl-2-(3-phenylpropyl)octanamide CAS Name: (2R,3S)-N-[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-oxo-1-(2-thiazolylamino)pentan-2-yl]-3-[formyl(hydroxy)amino]-7-methyl-2-(3-phenylpropyl)octanamide IUPAC Name: (2R,3S)-N-[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-3-[formyl(hydroxy)amino]-7-methyl-2-(3-phenylpropyl)octanamide Traditional Name: (2R,3S)-N-[(1S)-4-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]-1-(thiazol-2-ylcarbamoyl)butyl]-3-[formyl(hydroxy)amino]-7-methyl-2-(3-phenylpropyl)caprylamide Formula: C38H55N7O7S2 MolecularWeight: 786.016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC(C(=O)NC2=NC=CS2)NC(=O)C(CCCC3=CC=CC=C3)C(CCCC(C)C)N(C=O)O)N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)NC2=NC=CS2)NC(=O)[C@H](CCCC3=CC=CC=C3)[C@H](CCCC(C)C)N(C=O)O)N)C)C)OC

InChI

InChI=1S/C38H55N7O7S2/c1-25(2)13-10-19-32(45(49)24-46)30(17-11-16-29-14-8-7-9-15-29)35(47)42-31(36(48)43-38-41-21-22-53-38)18-12-20-40-37(39)44-54(50,51)34-26(3)23-33(52-6)27(4)28(34)5/h7-9,14-15,21-25,30-32,49H,10-13,16-20H2,1-6H3,(H,42,47)(H3,39,40,44)(H,41,43,48)/t30-,31+,32+/m1/s1