Np-1

Structural Information

Molecular Formula

C₁₆₁H₂₈₃N₆₅O₃₆S₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C161H283N65O36S6/c1-18-83(13)119(147(257)210-90(37-23-51-184-152(163)164)124(234)195-70-114(227)200-91(38-24-52-185-153(165)166)132(242)223-120(84(14)19-2)148(258)215-105(67-89-68-183-77-196-89)150(260)226-62-34-48-113(226)144(254)213-102(64-79(5)6)135(245)218-111(76-268)142(252)220-109(74-266)140(250)206-96(43-29-57-190-158(175)176)130(240)211-100(151(261)262)46-32-60-193-161(181)182)224-133(243)98(45-31-59-192-160(179)180)207-139(249)108(73-265)219-136(246)103(66-88-35-21-20-22-36-88)201-115(228)69-194-121(231)85(15)197-125(235)92(39-25-53-186-154(167)168)202-127(237)94(41-27-55-188-156(171)172)204-131(241)99(49-50-116(229)230)208-129(239)97(44-30-58-191-159(177)178)209-143(253)112-47-33-61-225(112)149(259)104(65-80(7)8)214-141(251)110(75-267)217-134(244)101(63-78(3)4)212-122(232)86(16)198-126(236)93(40-26-54-187-155(169)170)203-128(238)95(42-28-56-189-157(173)174)205-138(248)107(72-264)216-123(233)87(17)199-137(247)106(71-263)221-146(256)118(82(11)12)222-145(255)117(162)81(9)10/h20-22,35-36,68,77-87,90-113,117-120,263-268H,18-19,23-34,37-67,69-76,162H2,1-17H3,(H,183,196)(H,194,231)(H,195,234)(H,197,235)(H,198,236)(H,199,247)(H,200,227)(H,201,228)(H,202,237)(H,203,238)(H,204,241)(H,205,248)(H,206,250)(H,207,249)(H,208,239)(H,209,253)(H,210,257)(H,211,240)(H,212,232)(H,213,254)(H,214,251)(H,215,258)(H,216,233)(H,217,244)(H,218,245)(H,219,246)(H,220,252)(H,221,256)(H,222,255)(H,223,242)(H,224,243)(H,229,230)(H,261,262)(H4,163,164,184)(H4,165,166,185)(H4,167,168,186)(H4,169,170,187)(H4,171,172,188)(H4,173,174,189)(H4,175,176,190)(H4,177,178,191)(H4,179,180,192)(H4,181,182,193)/t83-,84-,85-,86-,87-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,117-,118-,119-,120-/m0/s1

InChIKey

DAMJAPQYXVKRQY-CCTNCFKYSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-5-carbamimidamido-1-[[(2S,3S)-1-[[(2S)-5-carbamimidamido-1-[[2-[[(2S)-5-carbamimidamido-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130485
• CID 16130880
• CID 16130881