D-y-q-v-s-s-p-i-y(oso3)-d-i-n-y(oso3)-y-t-s-e

Structural Information

Molecular Formula

C₉₃H₁₂₉N₁₉O₄₀S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C93H129N19O40S2/c1-8-44(5)74(89(139)104-62(38-69(96)120)82(132)100-59(35-49-16-24-53(25-17-49)151-153(145,146)147)80(130)101-61(34-48-14-22-52(118)23-15-48)83(133)111-76(46(7)116)91(141)106-64(40-113)85(135)98-57(93(143)144)29-31-70(121)122)109-84(134)63(39-72(125)126)102-81(131)60(36-50-18-26-54(27-19-50)152-154(148,149)150)103-90(140)75(45(6)9-2)110-87(137)67-11-10-32-112(67)92(142)66(42-115)107-86(136)65(41-114)105-88(138)73(43(3)4)108-78(128)56(28-30-68(95)119)97-79(129)58(33-47-12-20-51(117)21-13-47)99-77(127)55(94)37-71(123)124/h12-27,43-46,55-67,73-76,113-118H,8-11,28-42,94H2,1-7H3,(H2,95,119)(H2,96,120)(H,97,129)(H,98,135)(H,99,127)(H,100,132)(H,101,130)(H,102,131)(H,103,140)(H,104,139)(H,105,138)(H,106,141)(H,107,136)(H,108,128)(H,109,134)(H,110,137)(H,111,133)(H,121,122)(H,123,124)(H,125,126)(H,143,144)(H,145,146,147)(H,148,149,150)/t44-,45-,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-,76-/m0/s1

InChIKey

RRNMJBMXYTZUNG-RFJVLZFKSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130467