Mannaz-dbco-pam3csk4

Structural Information

Molecular Formula

C₁₀₉H₁₈₈N₁₆O₂₂S

SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H](CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@H](CO)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCC(=O)N1CC2=CC=CC=C2C3C(C4=CC=CC=C41)N(N=N3)C(=O)N[C@@H]5[C@H](C[C@](O[C@H]5[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O

InChI

InChI=1S/C109H188N16O22S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-63-92(130)115-88(78-148-77-80(146-95(133)65-42-39-36-33-30-27-24-21-18-15-12-9-6-3)76-145-94(132)64-41-38-35-32-29-26-23-20-17-14-11-8-5-2)106(140)120-87(74-126)105(139)119-86(61-50-54-70-113)104(138)118-85(60-49-53-69-112)103(137)117-84(59-48-52-68-111)102(136)116-83(58-47-51-67-110)101(135)114-71-66-93(131)124-73-79-55-43-44-56-81(79)96-98(82-57-45-46-62-89(82)124)125(123-122-96)108(143)121-97-90(128)72-109(144,107(141)142)147-100(97)99(134)91(129)75-127/h43-46,55-57,62,80,83-88,90-91,96-100,126-129,134,144H,4-42,47-54,58-61,63-78,110-113H2,1-3H3,(H,114,135)(H,115,130)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,143)(H,141,142)/t80?,83-,84-,85-,86-,87-,88-,90+,91-,96?,97-,98?,99-,100-,109+/m1/s1

InChIKey

HACHPVCYFLSKSB-UMJDSZQGSA-N

Compound name

(2S,4S,5R,6R)-5-[[13-[3-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene-5-carbonyl]amino]-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Related CIDs

• CID 156621409