N-[(2S)-1-[[(1S)-2-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-1-ethylsulfanyl-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]morpholine-4-sulfonimidic acid

Systemtic Name: N-[(2S)-1-[[(1S)-2-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-1-ethylsulfanyl-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]morpholine-4-sulfonimidic acid Openeye Name: N-[(1S)-1-benzyl-2-[[(1S)-2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-1-ethylsulfanyl-2-oxo-ethyl]amino]-2-oxo-ethyl]morpholine-4-sulfonimidic acid CAS Name: N-[(2S)-1-[[(1S)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-(ethylthio)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-morpholinesulfonimidic acid IUPAC Name: N-[(2S)-1-[[(1S)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-ethylsulfanyl-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-sulfonimidic acid Traditional Name: N-[(1S)-1-benzyl-2-[[(1S)-2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-1-(ethylthio)-2-keto-ethyl]amino]-2-keto-ethyl]morpholine-4-sulfonimidic acid Formula: C31H52N4O7S2 MolecularWeight: 656.89718

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(=O)NC(CC1CCCCC1)C(C(CC(C)C)O)O)NC(=O)C(CC2=CC=CC=C2)N=S(=O)(N3CCOCC3)O

Isomeric SMILES

CCS[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](CC2=CC=CC=C2)N=S(=O)(N3CCOCC3)O

InChI

InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)(H,34,40,41)/t25-,26-,27-,28+,31-/m0/s1