155773-76-5

Structural Information

Molecular Formula

C₇₉H₁₂₂N₁₈O₂₅S

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C79H122N18O25S/c1-41(2)33-51(68(110)87-50(24-15-17-31-81)78(120)97-32-18-25-59(97)75(117)85-49(27-29-62(105)106)67(109)95-63(42(3)4)76(118)86-47(23-14-16-30-80)65(107)94-57(39-100)79(121)122)88-69(111)52(34-45-19-10-8-11-20-45)89-66(108)48(26-28-61(103)104)84-72(114)55(37-98)92-70(112)54(36-60(82)102)91-77(119)64(43(5)6)96-71(113)53(35-46-21-12-9-13-22-46)90-73(115)56(38-99)93-74(116)58(40-123)83-44(7)101/h8-13,19-22,41-43,47-59,63-64,98-100,123H,14-18,23-40,80-81H2,1-7H3,(H2,82,102)(H,83,101)(H,84,114)(H,85,117)(H,86,118)(H,87,110)(H,88,111)(H,89,108)(H,90,115)(H,91,119)(H,92,112)(H,93,116)(H,94,107)(H,95,109)(H,96,113)(H,103,104)(H,105,106)(H,121,122)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-,64-/m0/s1

InChIKey

URBJSHDJILNKFN-HKINMLJPSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71308577