Ceeeefeeefeefef

Structural Information

Molecular Formula

C₈₉H₁₁₃N₁₅O₃₆S

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)N

InChI

InChI=1S/C89H113N15O36S/c90-50(45-141)75(125)91-51(21-31-65(105)106)76(126)92-52(22-32-66(107)108)77(127)93-53(23-33-67(109)110)78(128)95-57(27-37-71(117)118)82(132)101-61(41-46-13-5-1-6-14-46)86(136)98-55(25-35-69(113)114)80(130)94-54(24-34-68(111)112)79(129)96-58(28-38-72(119)120)83(133)102-62(42-47-15-7-2-8-16-47)87(137)99-56(26-36-70(115)116)81(131)97-59(29-39-73(121)122)84(134)103-63(43-48-17-9-3-10-18-48)88(138)100-60(30-40-74(123)124)85(135)104-64(89(139)140)44-49-19-11-4-12-20-49/h1-20,50-64,141H,21-45,90H2,(H,91,125)(H,92,126)(H,93,127)(H,94,130)(H,95,128)(H,96,129)(H,97,131)(H,98,136)(H,99,137)(H,100,138)(H,101,132)(H,102,133)(H,103,134)(H,104,135)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,139,140)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1

InChIKey

HOBIGVDTKZPOPV-VTFUOEFESA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16727527