(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-6-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]-4,5-diacetyloxy-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-6-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]-4,5-diacetyloxy-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-6-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]-4,5-diacetoxy-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-6-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxymethyl]-4,5-diacetyloxy-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-6-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]-4,5-diacetyloxyoxan-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-6-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]-4,5-diacetoxy-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: C60H92N12O28 MolecularWeight: 1429.43608

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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)COC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)C(=O)NCC(=O)N3CCCC3C(=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)CO[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C60H92N12O28/c1-25(2)20-38(70-54(87)36(66-28(5)73)16-18-45(84)85)56(89)65-26(3)53(86)69-37(15-17-42(61)81)55(88)71-46(58(91)64-22-44(83)72-19-13-14-39(72)57(90)63-21-43(62)82)27(4)94-60-48(68-30(7)75)52(98-35(12)80)50(96-33(10)78)41(100-60)24-93-59-47(67-29(6)74)51(97-34(11)79)49(95-32(9)77)40(99-59)23-92-31(8)76/h25-27,36-41,46-52,59-60H,13-24H2,1-12H3,(H2,61,81)(H2,62,82)(H,63,90)(H,64,91)(H,65,89)(H,66,73)(H,67,74)(H,68,75)(H,69,86)(H,70,87)(H,71,88)(H,84,85)/t26-,27+,36-,37-,38-,39-,40+,41+,46-,47+,48+,49-,50-,51+,52+,59-,60-/m0/s1