Microviridin sd1652

Structural Information

Molecular Formula

C₇₅H₁₀₀N₁₈O₂₅

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)NC([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)[C@H]([C@H](NC(=O)[C@H]2CCC(=O)OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC3=CNC4=CC=CC=C43)CC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](NC1=O)CC6=CC=C(C=C6)O)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)O)O)NC(=O)C)O

InChI

InChI=1S/C75H100N18O25/c1-35(81-69(111)57(36(2)94)82-38(4)96)61(103)91-58(37(3)95)70(112)85-47(14-9-27-79-75(76)77)62(104)83-46-13-7-8-26-78-72(114)60(102)59(71(113)89-52(74(116)117)30-40-18-22-43(98)23-19-40)92-64(106)48-24-25-56(101)118-34-53(90-68(110)54-15-10-28-93(54)73(115)51(88-63(46)105)29-39-16-20-42(97)21-17-39)67(109)87-50(32-55(99)100)66(108)86-49(65(107)84-48)31-41-33-80-45-12-6-5-11-44(41)45/h5-6,11-12,16-23,33,35-37,46-54,57-60,80,94-95,97-98,102H,7-10,13-15,24-32,34H2,1-4H3,(H,78,114)(H,81,111)(H,82,96)(H,83,104)(H,84,107)(H,85,112)(H,86,108)(H,87,109)(H,88,105)(H,89,113)(H,90,110)(H,91,103)(H,92,106)(H,99,100)(H,116,117)(H4,76,77,79)/t35-,36+,37+,46-,47-,48+,49-,50-,51+,52-,53-,54-,57-,58?,59-,60-/m0/s1

InChIKey

XALWEAUOGIUOSS-JTOVNIPUSA-N

Compound name

(2S)-2-[[(1S,4S,10R,13S,20S,21S,24R,27S,30S)-13-[[(2S)-2-[[(3R)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-30-(carboxymethyl)-20-hydroxy-10-[(4-hydroxyphenyl)methyl]-27-(1H-indol-3-ylmethyl)-3,9,12,19,23,26,29,32,35-nonaoxo-34-oxa-2,8,11,18,22,25,28,31-octazatricyclo[22.8.5.04,8]heptatriacontane-21-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 155802408