(2S)-N-[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[[(2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanamide

Systemtic Name: (2S)-N-[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[[(2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanamide Openeye Name: (2S)-N-[(1S)-4-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]-1-(thiazole-2-carbonyl)butyl]-2-[[(2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanamide CAS Name: (2S)-N-[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-oxo-1-(2-thiazolyl)pentan-2-yl]-2-[[(2S)-2-[[[[(1R)-1-(4-bromophenyl)ethyl]amino]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methylbutanamide IUPAC Name: (2S)-N-[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[[(2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanamide Traditional Name: (2S)-N-[(1S)-4-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]-1-(thiazole-2-carbonyl)butyl]-2-[[(2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butyramide Formula: C44H54BrN9O7S2 MolecularWeight: 964.98966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC(C(=O)C2=NC=CS2)NC(=O)C(C(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)NC(C)C5=CC=C(C=C5)Br)N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)C2=NC=CS2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)N[C@H](C)C5=CC=C(C=C5)Br)N)C)C)OC

InChI

InChI=1S/C44H54BrN9O7S2/c1-24(2)37(53-40(56)35(22-30-23-49-33-12-9-8-11-32(30)33)52-44(58)50-28(6)29-14-16-31(45)17-15-29)41(57)51-34(38(55)42-47-19-20-62-42)13-10-18-48-43(46)54-63(59,60)39-25(3)21-36(61-7)26(4)27(39)5/h8-9,11-12,14-17,19-21,23-24,28,34-35,37,49H,10,13,18,22H2,1-7H3,(H,51,57)(H,53,56)(H3,46,48,54)(H2,50,52,58)/t28-,34+,35+,37+/m1/s1