Ac-rsanftdnak tiivqlnqsv einctrp-nh2

Structural Information

Molecular Formula

C₁₃₀H₂₁₇N₄₁O₄₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C130H217N41O43S/c1-19-59(10)96(122(208)158-80(51-91(137)183)114(200)162-84(55-215)119(205)170-99(64(15)174)125(211)152-74(34-28-44-144-130(141)142)128(214)171-45-29-35-85(171)102(138)188)165-109(195)73(38-41-92(184)185)151-120(206)94(57(6)7)163-118(204)83(54-173)161-107(193)71(36-39-86(132)178)149-112(198)79(50-90(136)182)157-111(197)75(46-56(4)5)154-106(192)72(37-40-87(133)179)150-121(207)95(58(8)9)164-123(209)97(60(11)20-2)166-124(210)98(61(12)21-3)167-127(213)101(66(17)176)168-108(194)70(32-25-26-42-131)148-103(189)62(13)145-110(196)77(48-88(134)180)156-115(201)81(52-93(186)187)159-126(212)100(65(16)175)169-116(202)76(47-68-30-23-22-24-31-68)155-113(199)78(49-89(135)181)153-104(190)63(14)146-117(203)82(53-172)160-105(191)69(147-67(18)177)33-27-43-143-129(139)140/h22-24,30-31,56-66,69-85,94-101,172-176,215H,19-21,25-29,32-55,131H2,1-18H3,(H2,132,178)(H2,133,179)(H2,134,180)(H2,135,181)(H2,136,182)(H2,137,183)(H2,138,188)(H,145,196)(H,146,203)(H,147,177)(H,148,189)(H,149,198)(H,150,207)(H,151,206)(H,152,211)(H,153,190)(H,154,192)(H,155,199)(H,156,201)(H,157,197)(H,158,208)(H,159,212)(H,160,191)(H,161,193)(H,162,200)(H,163,204)(H,164,209)(H,165,195)(H,166,210)(H,167,213)(H,168,194)(H,169,202)(H,170,205)(H,184,185)(H,186,187)(H4,139,140,143)(H4,141,142,144)/t59-,60-,61-,62-,63-,64+,65+,66+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,94-,95-,96-,97-,98-,99-,100-,101-/m0/s1

InChIKey

GECLCJMGTCHVHF-KRDYNMDESA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2R)-1-[[(2S,3R)-1-[[(2S)-5-carbamimidamido-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204868