Paromr5

Structural Information

Molecular Formula

C₅₃H₁₀₅N₂₅O₁₉

SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1NC(=O)[C@H](CCCN=C(N)N)N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)[C@H](CCCN=C(N)N)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OC4[C@@H]([C@H]([C@@H]([C@@H](O4)CNC(=O)[C@H](CCCN=C(N)N)N)O)O)NC(=O)[C@H](CCCN=C(N)N)N)O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C53H105N25O19/c54-20(6-1-11-69-49(59)60)41(87)74-17-27-33(82)35(84)30(77-44(90)23(57)9-4-14-72-52(65)66)46(92-27)96-39-29(19-80)94-48(37(39)86)97-40-32(81)25(75-42(88)21(55)7-2-12-70-50(61)62)16-26(76-43(89)22(56)8-3-13-71-51(63)64)38(40)95-47-31(36(85)34(83)28(18-79)93-47)78-45(91)24(58)10-5-15-73-53(67)68/h20-40,46-48,79-86H,1-19,54-58H2,(H,74,87)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H4,59,60,69)(H4,61,62,70)(H4,63,64,71)(H4,65,66,72)(H4,67,68,73)/t20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35+,36+,37+,38+,39+,40+,46?,47+,48-/m0/s1

InChIKey

WBKANLWNEXMGNH-ZXHZOTLGSA-N

Compound name

(2S)-2-amino-N-[[(2S,3S,4R,5R)-5-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-[(2S,3R,4R,5S,6R)-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-5-(diaminomethylideneamino)pentanamide

Related CIDs

• CID 514198