Gpr1ntp-(y/a)

Structural Information

Molecular Formula

C₁₂₆H₁₉₀N₂₈O₅₃S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C126H190N28O53S2/c1-55(2)41-74(141-121(201)83(50-98(178)179)147-107(187)67(25-32-89(160)161)133-104(184)66(127)39-40-209-14)114(194)136-68(26-33-90(162)163)106(186)135-73(31-38-95(172)173)111(191)154-99(63(13)158)125(205)149-77(44-58(7)8)117(197)145-79(46-65-23-19-16-20-24-65)119(199)138-69(27-34-91(164)165)105(185)134-70(28-35-92(166)167)108(188)144-78(45-64-21-17-15-18-22-64)118(198)139-71(29-36-93(168)169)109(189)146-80(47-88(128)159)112(192)131-62(12)103(183)150-84(51-155)122(202)132-61(11)101(181)140-82(49-97(176)177)120(200)142-76(43-57(5)6)116(196)148-81(48-96(174)175)113(193)130-59(9)100(180)129-60(10)102(182)151-85(52-156)123(203)143-75(42-56(3)4)115(195)137-72(30-37-94(170)171)110(190)152-86(53-157)124(204)153-87(54-208)126(206)207/h15-24,55-63,66-87,99,155-158,208H,25-54,127H2,1-14H3,(H2,128,159)(H,129,180)(H,130,193)(H,131,192)(H,132,202)(H,133,184)(H,134,185)(H,135,186)(H,136,194)(H,137,195)(H,138,199)(H,139,198)(H,140,181)(H,141,201)(H,142,200)(H,143,203)(H,144,188)(H,145,197)(H,146,189)(H,147,187)(H,148,196)(H,149,205)(H,150,183)(H,151,182)(H,152,190)(H,153,204)(H,154,191)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,206,207)/t59-,60-,61-,62-,63+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,99-/m0/s1

InChIKey

KLGUEKCWHPQNFX-NYFHEFFLSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134127