Nh2-y(oso3)-d-i-n-y(oso3)-y(oso3)-t(oso3)-s(oso3)-e-oh

Structural Information

Molecular Formula

C₅₃H₇₀N₁₀O₃₅S₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)N[C@@H](C(C)OS(=O)(=O)O)C(=O)N[C@@H](COS(=O)(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)OS(=O)(=O)O)N

InChI

InChI=1S/C53H70N10O35S5/c1-4-25(2)43(62-49(73)38(23-42(67)68)57-45(69)33(54)19-27-5-11-30(12-6-27)96-101(85,86)87)51(75)60-37(22-40(55)64)47(71)58-35(20-28-7-13-31(14-8-28)97-102(88,89)90)46(70)59-36(21-29-9-15-32(16-10-29)98-103(91,92)93)48(72)63-44(26(3)95-100(82,83)84)52(76)61-39(24-94-99(79,80)81)50(74)56-34(53(77)78)17-18-41(65)66/h5-16,25-26,33-39,43-44H,4,17-24,54H2,1-3H3,(H2,55,64)(H,56,74)(H,57,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,73)(H,63,72)(H,65,66)(H,67,68)(H,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)/t25-,26?,33-,34-,35-,36-,37-,38-,39-,43-,44-/m0/s1

InChIKey

YMGPLXZHHWNGDA-LTYGEUBYSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-sulfooxybutanoyl]amino]-3-sulfooxypropanoyl]amino]pentanedioic acid

Related CIDs

• CID 477680