R-f-a-r-r-f-a-r-r-f-a-r-r-f-a-r-r-f-a-r-r-f-a-r-r-f-a-r

Structural Information

Molecular Formula

C₁₆₈H₂₆₈N₇₀O₂₉

SMILES

C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C168H268N70O29/c1-92(212-147(259)120(85-99-43-15-8-16-44-99)232-134(246)106(169)57-29-71-198-155(170)171)127(239)219-107(58-30-72-199-156(172)173)135(247)225-113(64-36-78-205-162(184)185)141(253)233-121(86-100-45-17-9-18-46-100)148(260)213-93(2)128(240)220-108(59-31-73-200-157(174)175)136(248)226-114(65-37-79-206-163(186)187)142(254)234-122(87-101-47-19-10-20-48-101)149(261)214-94(3)129(241)221-109(60-32-74-201-158(176)177)137(249)227-115(66-38-80-207-164(188)189)143(255)235-123(88-102-49-21-11-22-50-102)150(262)215-95(4)130(242)222-110(61-33-75-202-159(178)179)138(250)228-116(67-39-81-208-165(190)191)144(256)236-124(89-103-51-23-12-24-52-103)151(263)216-96(5)131(243)223-111(62-34-76-203-160(180)181)139(251)229-117(68-40-82-209-166(192)193)145(257)237-125(90-104-53-25-13-26-54-104)152(264)217-97(6)132(244)224-112(63-35-77-204-161(182)183)140(252)230-118(69-41-83-210-167(194)195)146(258)238-126(91-105-55-27-14-28-56-105)153(265)218-98(7)133(245)231-119(154(266)267)70-42-84-211-168(196)197/h8-28,43-56,92-98,106-126H,29-42,57-91,169H2,1-7H3,(H,212,259)(H,213,260)(H,214,261)(H,215,262)(H,216,263)(H,217,264)(H,218,265)(H,219,239)(H,220,240)(H,221,241)(H,222,242)(H,223,243)(H,224,244)(H,225,247)(H,226,248)(H,227,249)(H,228,250)(H,229,251)(H,230,252)(H,231,245)(H,232,246)(H,233,253)(H,234,254)(H,235,255)(H,236,256)(H,237,257)(H,238,258)(H,266,267)(H4,170,171,198)(H4,172,173,199)(H4,174,175,200)(H4,176,177,201)(H4,178,179,202)(H4,180,181,203)(H4,182,183,204)(H4,184,185,205)(H4,186,187,206)(H4,188,189,207)(H4,190,191,208)(H4,192,193,209)(H4,194,195,210)(H4,196,197,211)/t92-,93-,94-,95-,96-,97-,98-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-/m0/s1

InChIKey

VMYYWIBHKXEERN-TXBYOMHHSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16186102