Sartate

Structural Information

Molecular Formula

C₆₉H₁₀₃N₁₇O₁₄S₂

SMILES

C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CCCC(=O)NC67CNCCNCC(CNCCNC6)(CNCCNC7)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O

InChI

InChI=1S/C69H103N17O14S2/c1-42(87)58-66(98)83-55(65(97)85-59(43(2)88)67(99)100)35-102-101-34-54(64(96)80-52(31-45-19-21-47(89)22-20-45)62(94)81-53(32-46-33-77-49-15-8-7-14-48(46)49)63(95)79-50(60(92)84-58)16-9-10-23-70)82-61(93)51(30-44-12-5-4-6-13-44)78-56(90)17-11-18-57(91)86-69-39-74-27-24-71-36-68(3,37-72-25-28-75-40-69)38-73-26-29-76-41-69/h4-8,12-15,19-22,33,42-43,50-55,58-59,71-77,87-89H,9-11,16-18,23-32,34-41,70H2,1-3H3,(H,78,90)(H,79,95)(H,80,96)(H,81,94)(H,82,93)(H,83,98)(H,84,92)(H,85,97)(H,86,91)(H,99,100)/t42-,43-,50+,51-,52+,53-,54+,55+,58+,59+,68?,69?/m1/s1

InChIKey

HXUFICPASZINEN-NMNXQNEXSA-N

Compound name

(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-19-[[(2R)-2-[[5-[(8-methyl-3,6,10,13,16,19-hexazabicyclo[6.6.6]icosan-1-yl)amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 137347535