Y(so4)-v-s-q-p-d-n-t-y-i-y(so4)-s-y-e-s-i-d

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

InChI

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

BMVUZMFUDNPSAH-RFJVLZFKSA-N

Compound name

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

Related CIDs

• CID 16130473