(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[6-[[6-[4-[3-[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2S,3R,4R,5S,6S)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxyethylamino]-2-oxidanylidene-ethyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]butanoylamino]-1-azanyl-1-oxidanylidene-he

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[6-[[6-[4-[3-[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2S,3R,4R,5S,6S)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxyethylamino]-2-oxidanylidene-ethyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]butanoylamino]-1-azanyl-1-oxidanylidene-he Openeye Name: (2S)-N-[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[6-[[5-[4-[3-[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5S,6S)-3-hydroxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyethylamino]-2-oxo-ethyl]sulfanyl-2,5-dioxo-pyrrolidin-1-yl]butanoylamino]-1-carbamoyl-pe CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[6-[[6-[[4-[3-[[2-[2-[[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[[(2S,3R,4R,5S,6S)-3-hydroxy-6-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2-oxanyl]oxy]ethylamino]-2-oxoethyl]thio]-2,5-dioxo-1-pyrrolidinyl]-1-oxobutyl]amino]-1-amino-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-1-o IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[6-[[6-[4-[3-[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5S,6S)-3-hydroxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxyethylamino]-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]butanoylamino]-1-amino-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-1-oxopropan-2- Traditional Name: (2S)-N-[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[6-[[5-[4-[3-[[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-4-[(2S,3R,4R,5S,6S)-3-hydroxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methylol-tetrahydropyran-2-yl]oxyethylamino]-2-keto-ethyl]thio]-2,5-diketo-pyrrolidino]butanoylamino]-1-carbamoyl-pentyl]amino]-6-ket Formula: C115H191N23O39S MolecularWeight: 2551.94274

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)C)OC4C(C(OC(C4O)CO)OCCNC(=O)CSC5CC(=O)N(C5=O)CCCC(=O)NCCCCC(C(=O)N)NC(=O)CCCCCNC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC8CCCCC8)NC(=O)C(CCCCN)NC(=O)C(C)N)NC(=O)C)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)OCCNC(=O)CSC5CC(=O)N(C5=O)CCCC(=O)NCCCCC(C(=O)N)NC(=O)CCCCCNC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC8CCCCC8)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)N)NC(=O)C)O)O)O)O

InChI

InChI=1S/C115H191N23O39S/c1-54(2)46-73(135-110(168)84(62(11)141)137-108(166)75(48-67-50-123-69-33-21-20-32-68(67)69)133-103(161)61(10)126-102(160)60(9)128-109(167)83(55(3)4)136-107(165)74(47-66-30-17-15-18-31-66)134-105(163)72(36-23-26-40-117)131-98(156)56(5)118)106(164)132-71(35-22-25-39-116)104(162)127-59(8)101(159)125-58(7)100(158)124-57(6)99(157)122-42-27-16-19-37-80(144)130-70(97(119)155)34-24-28-41-120-79(143)38-29-44-138-82(146)49-78(111(138)169)178-53-81(145)121-43-45-170-112-85(129-65(14)142)95(88(149)77(52-140)173-112)176-115-93(154)96(177-113-91(152)89(150)86(147)63(12)171-113)94(64(13)172-115)175-114-92(153)90(151)87(148)76(51-139)174-114/h20-21,32-33,50,54-64,66,70-78,83-96,112-115,123,139-141,147-154H,15-19,22-31,34-49,51-53,116-118H2,1-14H3,(H2,119,155)(H,120,143)(H,121,145)(H,122,157)(H,124,158)(H,125,159)(H,126,160)(H,127,162)(H,128,167)(H,129,142)(H,130,144)(H,131,156)(H,132,164)(H,133,161)(H,134,163)(H,135,168)(H,136,165)(H,137,166)/t56-,57-,58+,59+,60+,61+,62-,63+,6