Gpr1ntp-(15-27)

Structural Information

Molecular Formula

C₇₃H₉₇N₁₃O₂₇S

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)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](CC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C73H97N13O27S/c1-35(2)23-47(63(102)75-46(21-22-58(94)95)62(101)84-56(33-89)72(111)86-57(34-114)73(112)113)77-71(110)55(32-88)85-67(106)51(28-40-11-19-44(93)20-12-40)78-65(104)49(26-38-7-15-42(91)16-8-38)79-69(108)53(30-60(98)99)81-64(103)48(24-36(3)4)76-68(107)52(29-59(96)97)82-66(105)50(27-39-9-17-43(92)18-10-39)80-70(109)54(31-87)83-61(100)45(74)25-37-5-13-41(90)14-6-37/h5-20,35-36,45-57,87-93,114H,21-34,74H2,1-4H3,(H,75,102)(H,76,107)(H,77,110)(H,78,104)(H,79,108)(H,80,109)(H,81,103)(H,82,105)(H,83,100)(H,84,101)(H,85,106)(H,86,111)(H,94,95)(H,96,97)(H,98,99)(H,112,113)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1

InChIKey

JYARZCCBZYFUKI-UUWLLAPKSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134126