(2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]amino]-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanylpropanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-N-[(2S,3R)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]butanediamide

Systemtic Name: (2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]amino]-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanylpropanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-N-[(2S,3R)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]butanediamide Openeye Name: (2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-N-[(1S,2R)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]butanediamide CAS Name: (2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxohexyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-N-[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]butanediamide IUPAC Name: (2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-N-[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]butanediamide Traditional Name: (2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]amino]-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butanoyl]amino]-N-[(1S,2R)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]succinamide Formula: C46H73N13O15 MolecularWeight: 1048.14992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)NC1C(C(C(C(O1)CO)O)O)NC(=O)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCCN)NC(=O)C(C)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C46H73N13O15/c1-20(2)14-28(39(50)67)54-45(73)35(22(4)61)59-44(72)30(16-33(49)63)56-43(71)31(17-34(64)58-46-36(52-23(5)62)38(66)37(65)32(19-60)74-46)57-42(70)29(15-24-18-51-26-11-7-6-10-25(24)26)55-41(69)27(12-8-9-13-47)53-40(68)21(3)48/h6-7,10-11,18,20-22,27-32,35-38,46,51,60-61,65-66H,8-9,12-17,19,47-48H2,1-5H3,(H2,49,63)(H2,50,67)(H,52,62)(H,53,68)(H,54,73)(H,55,69)(H,56,71)(H,57,70)(H,58,64)(H,59,72)/t21-,22+,27-,28-,29-,30-,31-,32+,35-,36+,37+,38+,46+/m0/s1