(2S,5R,6R)-6-[[(2R)-2-[[11-[[(4S)-4-[[(2R)-2-[[(2R)-2-[[(1S)-8,9-bis(oxidanyl)-5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-1-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-5-[methanoyl(oxidanyl)amino]pentanoyl]amino]-5-oxidanylidene-5-[[2-oxidanylidene-2-[[(2R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[[(3S)-1-oxidanyl-2-oxidanylidene-piperidin-3-yl]amino]propan-2-yl]amino]butan-2-yl]amino]ethyl]amino]pentyl]amino]-11-oxidanylidene-und

Systemtic Name: (2S,5R,6R)-6-[[(2R)-2-[[11-[[(4S)-4-[[(2R)-2-[[(2R)-2-[[(1S)-8,9-bis(oxidanyl)-5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-1-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-5-[methanoyl(oxidanyl)amino]pentanoyl]amino]-5-oxidanylidene-5-[[2-oxidanylidene-2-[[(2R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[[(3S)-1-oxidanyl-2-oxidanylidene-piperidin-3-yl]amino]propan-2-yl]amino]butan-2-yl]amino]ethyl]amino]pentyl]amino]-11-oxidanylidene-und Openeye Name: (2S,5R,6R)-6-[[(2R)-2-[[11-[[(4S)-4-[[(2R)-2-[[(2R)-2-[[(1S)-8,9-dihydroxy-5-[(4-hydroxy-4-oxo-butanoyl)amino]-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxy-propanoyl]amino]-5-[formyl(hydroxy)amino]pentanoyl]amino]-5-[[2-[[(1R)-2-hydroxy-1-[[(1S)-1-(hydroxymethyl)-2-[[(3S)-1-hydroxy-2-oxo-3-piperidyl]amino]-2-oxo-ethyl]carbamoyl]propyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentyl]amino]-11-oxo-undecanoyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hepta CAS Name: (2S,5R,6R)-6-[[(2R)-2-[[11-[[(4S)-4-[[(2R)-2-[[(2R)-2-[[[(1S)-8,9-dihydroxy-5-[(4-hydroxy-1,4-dioxobutyl)amino]-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinolin-1-yl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-[formyl(hydroxy)amino]-1-oxopentyl]amino]-5-[[2-[[(2R)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxo-3-piperidinyl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentyl]amino]-1,11-dioxoundecyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabi IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-[[11-[[(4S)-4-[[(2R)-2-[[(2R)-2-[[(1S)-8,9-dihydroxy-5-[(4-hydroxy-4-oxobutanoyl)amino]-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-[formyl(hydroxy)amino]pentanoyl]amino]-5-[[2-[[(2R)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentyl]amino]-11-oxoundecanoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan Traditional Name: (2S,5R,6R)-6-[[(2R)-2-[[11-[[(4S)-4-[[(2R)-2-[[(2R)-2-[[(1S)-8,9-dihydroxy-5-[(4-hydroxy-4-keto-butanoyl)amino]-2,3,4,4a-tetrahydro-1H-pyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxy-propanoyl]amino]-5-[formyl(hydroxy)amino]pentanoyl]amino]-5-[[2-[[(1R)-2-hydroxy-1-[[(1S)-2-[[(3S)-1-hydroxy-2-keto-3-piperidyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]propyl]amino]-2-keto-ethyl]amino]-5-keto-pentyl]amino]-11-keto-undecanoyl]amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hepta Formula: C72H102N16O25S MolecularWeight: 1623.73748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CO)C(=O)NC1CCCN(C1=O)O)NC(=O)CNC(=O)C(CCCNC(=O)CCCCCCCCCC(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O)NC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C5CCNC6N5C7=CC(=C(C=C7C=C6NC(=O)CCC(=O)O)O)O)O

Isomeric SMILES

CC([C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1CCCN(C1=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=O)CCCCCCCCCC(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O)NC(=O)[C@@H](CCCN(C=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H]5CCNC6N5C7=CC(=C(C=C7C=C6NC(=O)CCC(=O)O)O)O)O

InChI

InChI=1S/C72H102N16O25S/c1-38(92)56(66(106)81-46(36-90)64(104)79-43-21-16-30-86(113)68(43)108)83-54(98)34-75-61(101)41(19-14-27-73-51(95)22-12-7-5-4-6-8-13-23-52(96)82-57(39-17-10-9-11-18-39)67(107)84-58-69(109)88-59(71(110)111)72(2,3)114-70(58)88)77-62(102)42(20-15-29-85(112)37-91)78-63(103)45(35-89)80-65(105)47-26-28-74-60-44(76-53(97)24-25-55(99)100)31-40-32-49(93)50(94)33-48(40)87(47)60/h9-11,17-18,31-33,37-38,41-43,45-47,56-60,70,74,89-90,92-94,112-113H,4-8,12-16,19-30,34-36H2,1-3H3,(H,73,95)(H,75,101)(H,76,97)(H,77,102)(H,78,103)(H,79,104)(H,80,105)(H,81,106)(H,82,96)(H,83,98)(H,84,107)(H,99,100)(H,110,111)/t38?,41-,42+,43-,45+,46-,47-,56+,57+,58+,59-,60?,70+/m0/s1