6-[2-[4-[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]-[2-[[2-[[(1r)-1-carbamoyl-4-guanidino-butyl]amino]-2-oxo-ethyl]-(3-guanidinopropyl)amino]-2-oxo-ethyl]amino]ethoxy]phenyl]ethyl]-2-methyl-4-(3-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylic acid

Structural Information

Molecular Formula

C₅₈H₉₂N₂₂O₁₃

SMILES

CC1C(=C(C(=C(N1)CCC2=CC=C(C=C2)OCCN(CC(=O)N(CCCN=C(N)N)CC(=O)N[C@H](CCCN=C(N)N)C(=O)N)C(=O)CN(CCCN=C(N)N)C(=O)CN(CCCN=C(N)N)C(=O)CNCCCCCCN)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C58H92N22O13/c1-37-49(53(87)88)50(39-11-6-12-40(31-39)80(91)92)51(54(89)90)42(74-37)19-16-38-14-17-41(18-15-38)93-30-29-79(36-46(83)76(26-8-23-71-56(63)64)33-44(81)75-43(52(60)86)13-7-22-70-55(61)62)48(85)35-78(28-10-25-73-58(67)68)47(84)34-77(27-9-24-72-57(65)66)45(82)32-69-21-5-3-2-4-20-59/h6,11-12,14-15,17-18,31,37,43,69,74H,2-5,7-10,13,16,19-30,32-36,59H2,1H3,(H2,60,86)(H,75,81)(H,87,88)(H,89,90)(H4,61,62,70)(H4,63,64,71)(H4,65,66,72)(H4,67,68,73)/t37?,43-/m1/s1

InChIKey

CQKLMWXBWIJDCA-PIHZBDOSSA-N

Compound name

6-[2-[4-[2-[[2-[[2-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-[3-(diaminomethylideneamino)propyl]amino]-2-oxoethyl]-[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]ethoxy]phenyl]ethyl]-2-methyl-4-(3-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylic acid

Related CIDs

• CID 135511103