Nh2-cys(x1)-ser-ser-his-phe-pro-tyr-ser-gln-tyr-gln-phe-trp-lys-asn-phe-gln-thr-leu-lys-cys(x1)-cooh

Structural Information

Molecular Formula

C₁₂₃H₁₆₆N₃₀O₃₂S₂

SMILES

C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CC3=CC=CC=C3)CC(=O)N)CCCCN)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)CCC(=O)N)CC7=CC=C(C=C7)O)CCC(=O)N)CO)CC8=CC=C(C=C8)O)CC9=CC=CC=C9)CC1=CN=CN1)CO)CO)N)C(=O)O)CCCCN)CC(C)C)O

InChI

InChI=1S/C123H166N30O32S2/c1-65(2)48-84-109(170)134-80(29-16-18-46-125)105(166)151-96(123(184)185)63-187-186-62-77(126)103(164)148-93(59-154)119(180)150-95(61-156)118(179)143-90(55-73-58-131-64-133-73)115(176)147-92(53-69-24-11-6-12-25-69)122(183)153-47-19-30-97(153)120(181)145-88(52-71-33-37-75(159)38-34-71)113(174)149-94(60-155)117(178)138-82(40-43-99(128)161)107(168)140-87(51-70-31-35-74(158)36-32-70)111(172)136-81(39-42-98(127)160)106(167)139-86(50-68-22-9-5-10-23-68)112(173)142-89(54-72-57-132-78-27-14-13-26-76(72)78)114(175)135-79(28-15-17-45-124)104(165)144-91(56-101(130)163)116(177)141-85(49-67-20-7-4-8-21-67)110(171)137-83(41-44-100(129)162)108(169)152-102(66(3)157)121(182)146-84/h4-14,20-27,31-38,57-58,64-66,77,79-97,102,132,154-159H,15-19,28-30,39-56,59-63,124-126H2,1-3H3,(H2,127,160)(H2,128,161)(H2,129,162)(H2,130,163)(H,131,133)(H,134,170)(H,135,175)(H,136,172)(H,137,171)(H,138,178)(H,139,167)(H,140,168)(H,141,177)(H,142,173)(H,143,179)(H,144,165)(H,145,181)(H,146,182)(H,147,176)(H,148,164)(H,149,174)(H,150,180)(H,151,166)(H,152,169)(H,184,185)/t66-,77+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,102+/m1/s1

InChIKey

IIZPVOPWIPTSCI-GOFZFBTHSA-N

Compound name

(3S,6S,9S,12S,15R,20R,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S)-15-amino-23,41-bis(4-aminobutyl)-38-(2-amino-2-oxoethyl)-32,50,56-tris(3-amino-3-oxopropyl)-3,35,47-tribenzyl-29-[(1R)-1-hydroxyethyl]-9,12,59-tris(hydroxymethyl)-53,62-bis[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-44-(1H-indol-3-ylmethyl)-26-(2-methylpropyl)-2,5,8,11,14,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64-icosaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63-icosazabicyclo[63.3.0]octahexacontane-20-carboxylic acid

Related CIDs

• CID 16131836