Pgya

Structural Information

Molecular Formula

C₁₂₆H₂₁₂N₃₆O₂₇

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN

InChI

InChI=1S/C126H212N36O27/c1-13-76(11)104(122(188)142-69-100(166)144-81(71-163)64-80-46-48-82(164)49-47-80)161-113(179)87(42-25-30-56-131)149-107(173)84(39-22-27-53-128)152-119(185)96(65-78-34-17-15-18-35-78)158-109(175)85(40-23-28-54-129)147-112(178)91(50-51-102(168)169)145-101(167)70-143-123(189)105(77(12)14-2)162-114(180)86(41-24-29-55-130)148-106(172)83(38-21-26-52-127)151-117(183)95(63-75(9)10)157-120(186)97(66-79-36-19-16-20-37-79)159-121(187)98(67-103(170)171)160-111(177)90(45-33-59-141-126(137)138)154-116(182)93(61-73(5)6)155-110(176)89(44-32-58-140-125(135)136)150-108(174)88(43-31-57-139-124(133)134)153-118(184)94(62-74(7)8)156-115(181)92(60-72(3)4)146-99(165)68-132/h15-20,34-37,46-49,71-77,81,83-98,104-105,164H,13-14,21-33,38-45,50-70,127-132H2,1-12H3,(H,142,188)(H,143,189)(H,144,166)(H,145,167)(H,146,165)(H,147,178)(H,148,172)(H,149,173)(H,150,174)(H,151,183)(H,152,185)(H,153,184)(H,154,182)(H,155,176)(H,156,181)(H,157,186)(H,158,175)(H,159,187)(H,160,177)(H,161,179)(H,162,180)(H,168,169)(H,170,171)(H4,133,134,139)(H4,135,136,140)(H4,137,138,141)/t76-,77-,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,104-,105-/m0/s1

InChIKey

ZIJCGKYVZPZELZ-SSZNUFPPSA-N

Compound name

(4S)-4-[[2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[2-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130516