Scytovirin

Structural Information

Molecular Formula

C₆₆H₉₁N₁₉O₂₄S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N4CCC[C@H]4C(=O)NCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CO)NC(=O)CN)O

InChI

InChI=1S/C66H91N19O24S/c1-30(55(98)77-40(21-47(68)89)61(104)81-42(23-49(70)91)66(109)85-18-6-9-45(85)63(106)73-27-53(96)97)74-57(100)37(15-16-52(94)95)76-60(103)41(22-48(69)90)79-59(102)39(20-33-25-71-36-8-4-3-7-35(33)36)78-62(105)44(29-110)82-58(101)38(19-32-11-13-34(88)14-12-32)80-65(108)54(31(2)87)83-64(107)46-10-5-17-84(46)51(93)26-72-56(99)43(28-86)75-50(92)24-67/h3-4,7-8,11-14,25,30-31,37-46,54,71,86-88,110H,5-6,9-10,15-24,26-29,67H2,1-2H3,(H2,68,89)(H2,69,90)(H2,70,91)(H,72,99)(H,73,106)(H,74,100)(H,75,92)(H,76,103)(H,77,98)(H,78,105)(H,79,102)(H,80,108)(H,81,104)(H,82,101)(H,83,107)(H,94,95)(H,96,97)/t30-,31+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,54-/m0/s1

InChIKey

CYCBEOBJNJNJLP-UFTHWJGPSA-N

Compound name

(4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 139587544