H-cys-phe-ala-tyr-ile-ala-arg-pro-leu-pro-arg-ala-his-ile-lys-glu-tyr-phe-tyr-thr-ser-gly-lys-cys-oh

Structural Information

Molecular Formula

C₁₃₂H₁₉₄N₃₄O₃₂S₂

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=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)NCC(=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)N1)CC4=CC=C(C=C4)O)C)CC5=CC=CC=C5)N)C(=O)O)CCCCN)CO)[C@@H](C)O)CC6=CC=C(C=C6)O)CC7=CC=CC=C7)CC8=CC=C(C=C8)O)CCC(=O)O)CCCCN)[C@@H](C)CC)CC9=CN=CN9)C)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)C

InChI

InChI=1S/C132H194N34O32S2/c1-11-71(5)105-125(192)147-75(9)108(175)152-91(34-24-54-142-132(138)139)128(195)165-55-25-36-102(165)124(191)159-98(57-70(3)4)129(196)166-56-26-35-101(166)123(190)150-89(33-23-53-141-131(136)137)113(180)145-73(7)110(177)154-97(63-82-64-140-69-144-82)122(189)163-106(72(6)12-2)126(193)151-88(32-20-22-52-134)115(182)149-90(49-50-104(173)174)116(183)156-94(60-79-37-43-83(169)44-38-79)119(186)157-93(59-78-29-17-14-18-30-78)118(185)158-96(62-81-41-47-85(171)48-42-81)121(188)164-107(76(10)168)127(194)160-99(66-167)112(179)143-65-103(172)148-87(31-19-21-51-133)114(181)161-100(130(197)198)68-200-199-67-86(135)111(178)155-92(58-77-27-15-13-16-28-77)117(184)146-74(8)109(176)153-95(120(187)162-105)61-80-39-45-84(170)46-40-80/h13-18,27-30,37-48,64,69-76,86-102,105-107,167-171H,11-12,19-26,31-36,49-63,65-68,133-135H2,1-10H3,(H,140,144)(H,143,179)(H,145,180)(H,146,184)(H,147,192)(H,148,172)(H,149,182)(H,150,190)(H,151,193)(H,152,175)(H,153,176)(H,154,177)(H,155,178)(H,156,183)(H,157,186)(H,158,185)(H,159,191)(H,160,194)(H,161,181)(H,162,187)(H,163,189)(H,164,188)(H,173,174)(H,197,198)(H4,136,137,141)(H4,138,139,142)/t71-,72-,73-,74-,75-,76+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,105-,106-,107-/m0/s1

InChIKey

ZKGPZESJCHIXHO-WIBPESMGSA-N

Compound name

(3S,6S,12S,15S,18S,21S,24S,27S,30R,35R,38S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S)-30-amino-38,62-bis(4-aminobutyl)-27,53-dibenzyl-18,65-bis[(2S)-butan-2-yl]-12,74-bis(3-carbamimidamidopropyl)-59-(2-carboxyethyl)-47-[(1R)-1-hydroxyethyl]-44-(hydroxymethyl)-21,50,56-tris[(4-hydroxyphenyl)methyl]-68-(1H-imidazol-5-ylmethyl)-15,24,71-trimethyl-3-(2-methylpropyl)-2,5,11,14,17,20,23,26,29,37,40,43,46,49,52,55,58,61,64,67,70,73,76-tricosaoxo-32,33-dithia-1,4,10,13,16,19,22,25,28,36,39,42,45,48,51,54,57,60,63,66,69,72,75-tricosazatricyclo[75.3.0.06,10]octacontane-35-carboxylic acid

Related CIDs

• CID 16130709