H-cys-arg-phe-phe-glu-ser-his-val-ala-arg-ala-asn-val-lys-his-leu-lys-ile-leu-asn-thr-pro-asn-cys-oh

Structural Information

Molecular Formula

C₁₂₃H₁₉₅N₃₉O₃₂S₂

SMILES

CC[C@H](C)[C@H]1C(=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](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)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)N[C@H](C(=O)N1)CCCCN)CC(C)C)CC3=CN=CN3)CCCCN)C(C)C)CC(=O)N)C)CCCNC(=N)N)C)C(C)C)CC4=CN=CN4)CO)CCC(=O)O)CC5=CC=CC=C5)CC6=CC=CC=C6)CCCNC(=N)N)N)C(=O)O)CC(=O)N)[C@@H](C)O)CC(=O)N)CC(C)C

InChI

InChI=1S/C123H195N39O32S2/c1-14-64(10)96-119(191)155-79(45-61(4)5)107(179)153-86(52-92(129)167)114(186)161-97(67(13)164)120(192)162-43-27-36-89(162)116(188)154-84(50-90(127)165)111(183)157-88(121(193)194)57-196-195-56-72(126)100(172)143-76(35-26-42-137-123(132)133)103(175)149-81(47-69-30-19-16-20-31-69)109(181)150-80(46-68-28-17-15-18-29-68)108(180)145-77(37-38-93(168)169)104(176)156-87(55-163)115(187)152-83(49-71-54-135-59-139-71)112(184)158-94(62(6)7)117(189)141-66(12)98(170)142-75(34-25-41-136-122(130)131)101(173)140-65(11)99(171)147-85(51-91(128)166)113(185)159-95(63(8)9)118(190)146-73(32-21-23-39-124)102(174)151-82(48-70-53-134-58-138-70)110(182)148-78(44-60(2)3)106(178)144-74(105(177)160-96)33-22-24-40-125/h15-20,28-31,53-54,58-67,72-89,94-97,163-164H,14,21-27,32-52,55-57,124-126H2,1-13H3,(H2,127,165)(H2,128,166)(H2,129,167)(H,134,138)(H,135,139)(H,140,173)(H,141,189)(H,142,170)(H,143,172)(H,144,178)(H,145,180)(H,146,190)(H,147,171)(H,148,182)(H,149,175)(H,150,181)(H,151,174)(H,152,187)(H,153,179)(H,154,188)(H,155,191)(H,156,176)(H,157,183)(H,158,184)(H,159,185)(H,160,177)(H,161,186)(H,168,169)(H,193,194)(H4,130,131,136)(H4,132,133,137)/t64-,65-,66-,67+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,94-,95-,96-,97-/m0/s1

InChIKey

JRBQYEYBQPYMQL-ZJGZDEGDSA-N

Compound name

(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,63R,68R,71S,74S)-63-amino-15,24-bis(4-aminobutyl)-6,30,71-tris(2-amino-2-oxoethyl)-54,57-dibenzyl-12-[(2S)-butan-2-yl]-36,60-bis(3-carbamimidamidopropyl)-51-(2-carboxyethyl)-3-[(1R)-1-hydroxyethyl]-48-(hydroxymethyl)-21,45-bis(1H-imidazol-5-ylmethyl)-33,39-dimethyl-9,18-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,70,73-tricosaoxo-27,42-di(propan-2-yl)-65,66-dithia-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,69,72-tricosazabicyclo[72.3.0]heptaheptacontane-68-carboxylic acid

Related CIDs

• CID 16130712