(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1-[[2-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1-[[2-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-acetamido-5-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S,2R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1-[[2-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]-4-amino-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1-[[2-[(2S)-2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1-[[2-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-acetamido-5-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S,2R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1-[[2-[(2S)-2-[(2-amino-2-keto-ethyl)carbamoyl]pyrrolidino]-2-keto-ethyl]carbamoyl]propyl]carbamoyl]-4-amino-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C48H75N11O21 MolecularWeight: 1142.1702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)OC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)C(=O)NCC(=O)N2CCCC2C(=O)NCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)C)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C48H75N11O21/c1-21(2)17-31(57-43(71)29(54-24(5)60)13-15-37(68)69)45(73)53-22(3)42(70)56-30(12-14-34(49)65)44(72)58-38(47(75)52-19-36(67)59-16-10-11-32(59)46(74)51-18-35(50)66)23(4)77-48-39(55-25(6)61)41(79-28(9)64)40(78-27(8)63)33(80-48)20-76-26(7)62/h21-23,29-33,38-41,48H,10-20H2,1-9H3,(H2,49,65)(H2,50,66)(H,51,74)(H,52,75)(H,53,73)(H,54,60)(H,55,61)(H,56,70)(H,57,71)(H,58,72)(H,68,69)/t22-,23+,29-,30-,31-,32-,33+,38-,39+,40-,41+,48-/m0/s1