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

Structural Information

Molecular Formula

C₉₃H₁₂₉N₁₉O₃₇S

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)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/C93H129N19O37S/c1-8-44(5)74(89(140)104-62(38-69(96)121)82(133)100-59(36-50-18-26-54(27-19-50)149-150(146,147)148)80(131)101-61(35-49-16-24-53(119)25-17-49)83(134)111-76(46(7)116)91(142)106-64(40-113)85(136)98-57(93(144)145)29-31-70(122)123)109-84(135)63(39-72(126)127)102-81(132)60(34-48-14-22-52(118)23-15-48)103-90(141)75(45(6)9-2)110-87(138)67-11-10-32-112(67)92(143)66(42-115)107-86(137)65(41-114)105-88(139)73(43(3)4)108-78(129)56(28-30-68(95)120)97-79(130)58(33-47-12-20-51(117)21-13-47)99-77(128)55(94)37-71(124)125/h12-27,43-46,55-67,73-76,113-119H,8-11,28-42,94H2,1-7H3,(H2,95,120)(H2,96,121)(H,97,130)(H,98,136)(H,99,128)(H,100,133)(H,101,131)(H,102,132)(H,103,141)(H,104,140)(H,105,139)(H,106,142)(H,107,137)(H,108,129)(H,109,135)(H,110,138)(H,111,134)(H,122,123)(H,124,125)(H,126,127)(H,144,145)(H,146,147,148)/t44-,45-,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-,76-/m0/s1

InChIKey

COIPGARWTBBWIH-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-hydroxyphenyl)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 16130469