[(2S)-1-[[(2S,3S,5R)-5-methyl-6-[[(2S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamic acid

Systemtic Name: [(2S)-1-[[(2S,3S,5R)-5-methyl-6-[[(2S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamic acid Openeye Name: [(1S)-1-[[(1S,2S,4R)-1-benzyl-5-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-4-methyl-5-oxo-pentyl]carbamoyl]-3-methylsulfanyl-propyl]carbamic acid CAS Name: [(2S)-1-[[(2S,3S,5R)-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]carbamic acid IUPAC Name: [(2S)-1-[[(2S,3S,5R)-6-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamic acid Traditional Name: [(1S)-1-[[(1S,2S,4R)-1-benzyl-5-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-5-keto-4-methyl-pentyl]carbamoyl]-3-(methylthio)propyl]carbamic acid Formula: C31H44N4O6S MolecularWeight: 600.76926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(C)CC(C(CC2=CC=CC=C2)NC(=O)C(CCSC)NC(=O)O)O

Isomeric SMILES

C[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCSC)NC(=O)O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C31H44N4O6S/c1-20(2)27(30(39)32-19-23-13-9-6-10-14-23)35-28(37)21(3)17-26(36)25(18-22-11-7-5-8-12-22)33-29(38)24(15-16-42-4)34-31(40)41/h5-14,20-21,24-27,34,36H,15-19H2,1-4H3,(H,32,39)(H,33,38)(H,35,37)(H,40,41)/t21-,24+,25+,26+,27+/m1/s1