Sivmac

Structural Information

Molecular Formula

C₁₄₃H₂₄₀N₄₄O₅₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C143H240N44O51S/c1-17-64(6)103(131(227)183-110(74(16)199)138(234)184-104(68(10)193)132(228)158-65(7)111(207)159-66(8)139(235)187-49-29-38-96(187)129(225)182-107(71(13)196)135(231)175-89(56-188)122(218)160-67(9)140(236)186-48-28-37-95(186)128(224)177-102(63(4)5)130(226)174-92(59-191)124(220)165-83(40-42-100(203)204)117(213)167-84(141(237)238)35-22-25-45-146)178-136(232)109(73(15)198)185-137(233)108(72(14)197)181-126(222)93(60-192)173-125(221)91(58-190)172-116(212)80(34-21-24-44-145)166-133(229)105(69(11)194)180-121(217)85(50-62(2)3)161-99(202)55-157-113(209)86(51-75-54-156-78-32-19-18-30-76(75)78)168-114(210)81(36-27-47-155-143(152)153)163-120(216)88(53-101(205)206)170-134(230)106(70(12)195)179-118(214)82(39-41-97(148)200)164-123(219)90(57-189)171-115(211)79(33-20-23-43-144)162-119(215)87(52-98(149)201)169-127(223)94(61-239)176-112(208)77(147)31-26-46-154-142(150)151/h18-19,30,32,54,62-74,77,79-96,102-110,156,188-199,239H,17,20-29,31,33-53,55-61,144-147H2,1-16H3,(H2,148,200)(H2,149,201)(H,157,209)(H,158,228)(H,159,207)(H,160,218)(H,161,202)(H,162,215)(H,163,216)(H,164,219)(H,165,220)(H,166,229)(H,167,213)(H,168,210)(H,169,223)(H,170,230)(H,171,211)(H,172,212)(H,173,221)(H,174,226)(H,175,231)(H,176,208)(H,177,224)(H,178,232)(H,179,214)(H,180,217)(H,181,222)(H,182,225)(H,183,227)(H,184,234)(H,185,233)(H,203,204)(H,205,206)(H,237,238)(H4,150,151,154)(H4,152,153,155)/t64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1

InChIKey

FLNVBBPBGKOJHN-KKAOYSRWSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid

Related CIDs

• CID 16131656