Tridecaptin c

Structural Information

Molecular Formula

C₇₄H₁₁₇N₁₇O₂₁

SMILES

CC(C)CCCCCC(CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CCN)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCN)C(=O)N[C@H](CCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CO)C(=O)O)O

InChI

InChI=1S/C74H117N17O21/c1-39(2)17-11-9-14-20-45(95)33-57(96)89-60(40(3)4)71(108)84-49(25-28-75)63(100)79-35-58(97)80-54(36-92)69(106)86-53(32-44-34-78-47-22-16-15-21-46(44)47)68(105)87-55(37-93)70(107)83-50(26-29-76)64(101)82-51(27-30-77)65(102)85-52(31-43-18-12-10-13-19-43)67(104)81-48(23-24-59(98)99)66(103)90-62(42(7)8)73(110)91-61(41(5)6)72(109)88-56(38-94)74(111)112/h10,12-13,15-16,18-19,21-22,34,39-42,45,48-56,60-62,78,92-95H,9,11,14,17,20,23-33,35-38,75-77H2,1-8H3,(H,79,100)(H,80,97)(H,81,104)(H,82,101)(H,83,107)(H,84,108)(H,85,102)(H,86,106)(H,87,105)(H,88,109)(H,89,96)(H,90,103)(H,91,110)(H,98,99)(H,111,112)/t45?,48-,49+,50-,51+,52-,53+,54+,55-,56-,60+,61+,62-/m0/s1

InChIKey

WPHNALIPTSADPN-JCGBKWPZSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2R)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-4-amino-2-[[(2R)-2-[(3-hydroxy-9-methyldecanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]butanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2R)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 90684507