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

Structural Information

Molecular Formula

C₉₂H₁₂₇N₁₉O₄₀S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(C=C3)OS(=O)(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=C(C=C4)OS(=O)(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)N

InChI

InChI=1S/C92H127N19O40S2/c1-8-43(5)73(108-76(126)54(93)39-112)88(138)102-61(38-71(124)125)83(133)109-74(44(6)9-2)89(139)100-57(31-46-12-20-50(116)21-13-46)79(129)103-62(36-68(95)119)91(141)111-30-10-11-66(111)86(136)110-75(45(7)115)90(140)101-58(33-49-18-26-53(27-19-49)151-153(147,148)149)82(132)107-72(42(3)4)87(137)106-65(41-114)85(135)98-59(35-67(94)118)80(130)97-56(32-48-16-24-52(25-17-48)150-152(144,145)146)78(128)96-55(28-29-69(120)121)77(127)105-64(40-113)84(134)99-60(37-70(122)123)81(131)104-63(92(142)143)34-47-14-22-51(117)23-15-47/h12-27,42-45,54-66,72-75,112-117H,8-11,28-41,93H2,1-7H3,(H2,94,118)(H2,95,119)(H,96,128)(H,97,130)(H,98,135)(H,99,134)(H,100,139)(H,101,140)(H,102,138)(H,103,129)(H,104,131)(H,105,127)(H,106,137)(H,107,132)(H,108,126)(H,109,133)(H,110,136)(H,120,121)(H,122,123)(H,124,125)(H,142,143)(H,144,145,146)(H,147,148,149)/t43-,44-,45+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-,75-/m0/s1

InChIKey

UIRAPTVZGWKWIU-JOKNUXFRSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130474