Gpr1ntp-(1-27)

Structural Information

Molecular Formula

C₁₅₀H₂₀₆N₂₈O₅₇S₂

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](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CC=C(C=C4)O)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](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CC6=CC=C(C=C6)O)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/C150H206N28O57S2/c1-71(2)53-94(160-143(227)105(64-120(202)203)170-127(211)87(37-44-113(188)189)153-124(208)86(151)51-52-237-10)132(216)156-88(38-45-114(190)191)126(210)155-93(43-50-119(200)201)131(215)178-123(75(9)182)149(233)173-97(56-74(7)8)135(219)164-99(58-77-19-15-12-16-20-77)137(221)158-89(39-46-115(192)193)125(209)154-90(40-47-116(194)195)128(212)163-98(57-76-17-13-11-14-18-76)136(220)159-91(41-48-117(196)197)129(213)169-104(63-112(152)187)142(226)166-103(62-81-27-35-85(186)36-28-81)141(225)176-109(68-180)147(231)168-101(60-79-23-31-83(184)32-24-79)139(223)172-106(65-121(204)205)144(228)161-96(55-73(5)6)134(218)171-107(66-122(206)207)145(229)167-100(59-78-21-29-82(183)30-22-78)138(222)165-102(61-80-25-33-84(185)34-26-80)140(224)175-108(67-179)146(230)162-95(54-72(3)4)133(217)157-92(42-49-118(198)199)130(214)174-110(69-181)148(232)177-111(70-236)150(234)235/h11-36,71-75,86-111,123,179-186,236H,37-70,151H2,1-10H3,(H2,152,187)(H,153,208)(H,154,209)(H,155,210)(H,156,216)(H,157,217)(H,158,221)(H,159,220)(H,160,227)(H,161,228)(H,162,230)(H,163,212)(H,164,219)(H,165,222)(H,166,226)(H,167,229)(H,168,231)(H,169,213)(H,170,211)(H,171,218)(H,172,223)(H,173,233)(H,174,214)(H,175,224)(H,176,225)(H,177,232)(H,178,215)(H,188,189)(H,190,191)(H,192,193)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,234,235)/t75-,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,123+/m1/s1

InChIKey

GKAKBMVFYUQHLP-VNDMDLLOSA-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]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-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 16134120