[ac-cys-phe-ala-tyr-ile-ala-arg-pro-leu-pro-arg-ala-his-ile-lys-glu-nh2]2

Structural Information

Molecular Formula

C₁₇₈H₂₇₈N₅₂O₄₀S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](C)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC(C)C)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)C)NC(=O)C

InChI

InChI=1S/C178H278N52O40S2/c1-21-95(9)139(167(263)203-103(17)145(241)213-121(51-37-73-195-177(187)188)171(267)227-75-39-55-135(227)165(261)221-129(79-93(5)6)173(269)229-77-41-53-133(229)163(259)209-119(49-35-71-193-175(183)184)151(247)199-99(13)149(245)217-127(85-111-87-191-91-197-111)159(255)225-141(97(11)23-3)169(265)211-117(47-31-33-69-179)153(249)207-115(143(181)239)65-67-137(235)236)223-157(253)125(83-109-57-61-113(233)62-58-109)215-147(243)101(15)201-155(251)123(81-107-43-27-25-28-44-107)219-161(257)131(205-105(19)231)89-271-272-90-132(206-106(20)232)162(258)220-124(82-108-45-29-26-30-46-108)156(252)202-102(16)148(244)216-126(84-110-59-63-114(234)64-60-110)158(254)224-140(96(10)22-2)168(264)204-104(18)146(242)214-122(52-38-74-196-178(189)190)172(268)228-76-40-56-136(228)166(262)222-130(80-94(7)8)174(270)230-78-42-54-134(230)164(260)210-120(50-36-72-194-176(185)186)152(248)200-100(14)150(246)218-128(86-112-88-192-92-198-112)160(256)226-142(98(12)24-4)170(266)212-118(48-32-34-70-180)154(250)208-116(144(182)240)66-68-138(237)238/h25-30,43-46,57-64,87-88,91-104,115-136,139-142,233-234H,21-24,31-42,47-56,65-86,89-90,179-180H2,1-20H3,(H2,181,239)(H2,182,240)(H,191,197)(H,192,198)(H,199,247)(H,200,248)(H,201,251)(H,202,252)(H,203,263)(H,204,264)(H,205,231)(H,206,232)(H,207,249)(H,208,250)(H,209,259)(H,210,260)(H,211,265)(H,212,266)(H,213,241)(H,214,242)(H,215,243)(H,216,244)(H,217,245)(H,218,246)(H,219,257)(H,220,258)(H,221,261)(H,222,262)(H,223,253)(H,224,254)(H,225,255)(H,226,256)(H,235,236)(H,237,238)(H4,183,184,193)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)/t95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,139-,140-,141-,142-/m0/s1

InChIKey

FUTQTYBSYBEOCJ-PZPLJCTPSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-[[(2R)-2-acetamido-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]disulfanyl]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoic acid

Related CIDs

• CID 16130715