(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-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)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-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-[(2S)-2-[[(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]pyrrolidin-1-yl]-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)-2-[[[(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]-oxomethyl]-1-pyrrolidinyl]-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)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-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-[(2S)-2-[[(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]pyrrolidino]-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C48H74N10O20 MolecularWeight: 1111.15616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C(C)OC2C(C(C(C(O2)COC(=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]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)C)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C48H74N10O20/c1-22(2)18-31(55-42(68)30(53-25(5)59)14-15-37(66)67)43(69)52-23(3)47(73)58-17-11-13-33(58)45(71)56-38(46(72)51-20-36(65)57-16-10-12-32(57)44(70)50-19-35(49)64)24(4)75-48-39(54-26(6)60)41(77-29(9)63)40(76-28(8)62)34(78-48)21-74-27(7)61/h22-24,30-34,38-41,48H,10-21H2,1-9H3,(H2,49,64)(H,50,70)(H,51,72)(H,52,69)(H,53,59)(H,54,60)(H,55,68)(H,56,71)(H,66,67)/t23-,24+,30-,31-,32-,33-,34+,38-,39+,40-,41+,48-/m0/s1