Cvfipcistllgcscknkvcyrngvipcges

Structural Information

Molecular Formula

C₁₄₁H₂₃₀N₃₈O₄₀S₆

SMILES

CC[C@H](C)[C@H]1C(=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](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](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=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)N3CCC[C@H]3C(=O)N[C@H](C(=O)N1)CS)[C@@H](C)CC)CC4=CC=CC=C4)C(C)C)CS)CO)CCC(=O)O)CS)[C@@H](C)CC)C(C)C)CC(=O)N)CCCNC(=N)N)CC5=CC=C(C=C5)O)CS)C(C)C)CCCCN)CC(=O)N)CCCCN)CS)CO)CS)CC(C)C)CC(C)C)[C@@H](C)O)CO

InChI

InChI=1S/C141H230N38O40S6/c1-18-72(14)109-137(216)165-91(60-182)126(205)177-112(75(17)183)138(217)161-84(50-68(6)7)120(199)157-83(49-67(4)5)113(192)149-56-103(188)153-93(62-221)127(206)164-90(59-181)125(204)166-94(63-222)128(207)156-79(33-24-26-44-142)116(195)160-88(54-101(145)186)122(201)154-80(34-25-27-45-143)119(198)172-108(71(12)13)135(214)170-95(64-223)129(208)158-85(52-77-38-40-78(184)41-39-77)121(200)155-81(35-28-46-148-141(146)147)117(196)159-87(53-100(144)185)114(193)150-57-104(189)171-106(69(8)9)136(215)176-111(74(16)20-3)140(219)179-48-29-36-98(179)132(211)168-92(61-220)115(194)151-55-102(187)152-82(42-43-105(190)191)118(197)163-89(58-180)124(203)167-96(65-224)130(209)173-107(70(10)11)134(213)162-86(51-76-31-22-21-23-32-76)123(202)175-110(73(15)19-2)139(218)178-47-30-37-99(178)133(212)169-97(66-225)131(210)174-109/h21-23,31-32,38-41,67-75,79-99,106-112,180-184,220-225H,18-20,24-30,33-37,42-66,142-143H2,1-17H3,(H2,144,185)(H2,145,186)(H,149,192)(H,150,193)(H,151,194)(H,152,187)(H,153,188)(H,154,201)(H,155,200)(H,156,207)(H,157,199)(H,158,208)(H,159,196)(H,160,195)(H,161,217)(H,162,213)(H,163,197)(H,164,206)(H,165,216)(H,166,204)(H,167,203)(H,168,211)(H,169,212)(H,170,214)(H,171,189)(H,172,198)(H,173,209)(H,174,210)(H,175,202)(H,176,215)(H,177,205)(H,190,191)(H4,146,147,148)/t72-,73-,74-,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,106-,107-,108-,109-,110-,111-,112-/m0/s1

InChIKey

JMNFHUYVGSJQNX-OFSRULCSSA-N

Compound name

3-[(3S,6S,9S,12R,15S,18S,24R,27S,33S,36S,42S,45S,48S,51R,54S,57S,60S,63S,66R,69S,72R,78S,81S,84S,87S,90S,93R,96S)-57,63-bis(4-aminobutyl)-42,60-bis(2-amino-2-oxoethyl)-6-benzyl-3,33,90-tris[(2S)-butan-2-yl]-45-(3-carbamimidamidopropyl)-84-[(1R)-1-hydroxyethyl]-15,69,87-tris(hydroxymethyl)-48-[(4-hydroxyphenyl)methyl]-78,81-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-hentriacontaoxo-9,36,54-tri(propan-2-yl)-12,24,51,66,72,93-hexakis(sulfanylmethyl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-hentriacontazatricyclo[94.3.0.027,31]nonanonacontan-18-yl]propanoic acid

Related CIDs

• CID 16130184