184870-30-2

Structural Information

Molecular Formula

C₁₅₈H₂₆₃N₄₅O₂₇

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN

InChI

InChI=1S/C158H263N45O27/c1-15-99(14)130(155(230)203-78-46-65-126(203)151(226)198-119(83-97(10)11)144(219)192-117(81-95(6)7)143(218)197-124(88-104-90-174-92-178-104)150(225)189-115(131(167)206)79-93(2)3)201-153(228)129(98(12)13)200-152(227)127-66-45-77-202(127)154(229)125(91-204)199-145(220)118(82-96(8)9)191-139(214)111(60-33-40-72-164)182-135(210)108(57-30-37-69-161)187-149(224)123(87-103-53-26-19-27-54-103)196-142(217)116(80-94(4)5)190-138(213)110(59-32-39-71-163)181-134(209)107(56-29-36-68-160)185-147(222)121(85-101-49-22-17-23-50-101)194-140(215)112(61-34-41-73-165)183-133(208)106(55-28-35-67-159)180-137(212)113(63-43-75-176-157(170)171)188-148(223)122(86-102-51-24-18-25-52-102)195-141(216)114(64-44-76-177-158(172)173)184-136(211)109(58-31-38-70-162)186-146(221)120(84-100-47-20-16-21-48-100)193-132(207)105(179-128(205)89-166)62-42-74-175-156(168)169/h16-27,47-54,90,92-99,105-127,129-130,204H,15,28-46,55-89,91,159-166H2,1-14H3,(H2,167,206)(H,174,178)(H,179,205)(H,180,212)(H,181,209)(H,182,210)(H,183,208)(H,184,211)(H,185,222)(H,186,221)(H,187,224)(H,188,223)(H,189,225)(H,190,213)(H,191,214)(H,192,219)(H,193,207)(H,194,215)(H,195,216)(H,196,217)(H,197,218)(H,198,226)(H,199,220)(H,200,227)(H,201,228)(H4,168,169,175)(H4,170,171,176)(H4,172,173,177)/t99-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,129-,130-/m0/s1

InChIKey

BRRSZIMJXSPBER-GPKCLSBHSA-N

Compound name

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]-N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 16130511