Pseudobactin

Structural Information

Molecular Formula

C₄₂H₆₀N₁₂O₁₆

SMILES

C[C@H]([C@H](C(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(C1=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]([C@H](C(=O)O)O)NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCNC3=C(C=C4C=C(C(=O)C=C4N23)O)NC(=O)CCC(=O)N)N)O

InChI

InChI=1S/C42H60N12O16/c1-18(35(61)50-23-8-6-14-53(70)41(23)67)47-39(65)31(20(3)55)51-36(62)19(2)48-40(66)32(33(60)42(68)69)52-37(63)22(43)7-4-5-12-46-38(64)25-11-13-45-34-24(49-30(59)10-9-29(44)58)15-21-16-27(56)28(57)17-26(21)54(25)34/h15-20,22-23,25,31-33,45,55-56,60,70H,4-14,43H2,1-3H3,(H2,44,58)(H,46,64)(H,47,65)(H,48,66)(H,49,59)(H,50,61)(H,51,62)(H,52,63)(H,68,69)/t18-,19-,20+,22-,23+,25-,31+,32+,33+/m0/s1

InChIKey

UGBOUVVZXRMJNM-FUGGEZGHSA-N

Compound name

(2R,3R)-3-[[(2S)-2-amino-6-[[(1S)-5-[(4-amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]hexanoyl]amino]-2-hydroxy-4-[[(2S)-1-[[(2R,3R)-3-hydroxy-1-[[(2S)-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 5486206