Ac-nrvrqgyspl sfqthlpipr gp-nh2

Structural Information

Molecular Formula

C₁₁₅H₁₈₁N₃₇O₃₀

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CO)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)C

InChI

InChI=1S/C115H181N37O30/c1-11-61(8)91(112(182)152-45-21-29-83(152)105(175)138-68(24-15-39-127-113(120)121)94(164)131-54-89(162)149-42-18-27-81(149)93(119)163)147-107(177)84-30-20-43-150(84)110(180)78(47-59(4)5)143-102(172)76(50-66-52-126-57-132-66)142-109(179)92(62(9)155)148-98(168)72(36-38-86(117)159)137-101(171)75(48-64-22-13-12-14-23-64)140-104(174)79(55-153)144-99(169)73(46-58(2)3)141-106(176)82-28-19-44-151(82)111(181)80(56-154)145-100(170)74(49-65-31-33-67(157)34-32-65)134-88(161)53-130-95(165)71(35-37-85(116)158)136-96(166)69(25-16-40-128-114(122)123)139-108(178)90(60(6)7)146-97(167)70(26-17-41-129-115(124)125)135-103(173)77(51-87(118)160)133-63(10)156/h12-14,22-23,31-34,52,57-62,68-84,90-92,153-155,157H,11,15-21,24-30,35-51,53-56H2,1-10H3,(H2,116,158)(H2,117,159)(H2,118,160)(H2,119,163)(H,126,132)(H,130,165)(H,131,164)(H,133,156)(H,134,161)(H,135,173)(H,136,166)(H,137,171)(H,138,175)(H,139,178)(H,140,174)(H,141,176)(H,142,179)(H,143,172)(H,144,169)(H,145,170)(H,146,167)(H,147,177)(H,148,168)(H4,120,121,127)(H4,122,123,128)(H4,124,125,129)/t61-,62+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-,91-,92-/m0/s1

InChIKey

AGPSCZWZZFCRFE-RGBKGTHNSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-1-[(2S)-2-[[(2S)-5-carbamimidamido-1-[[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide

Related CIDs

• CID 16204879