Tetradecapeptide 1

Structural Information

Molecular Formula

C₇₃H₁₁₆N₂₀O₂₉

SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C73H116N20O29/c1-34(2)29-47(89-60(109)39(76)31-56(104)105)68(117)85-40(11-6-8-26-74)62(111)87-45(20-24-54(100)101)65(114)84-42(13-10-28-80-73(78)79)63(112)83-41(12-7-9-27-75)64(113)90-49(33-57(106)107)70(119)93-58(35(3)4)71(120)91-48(30-37-14-16-38(94)17-15-37)69(118)88-46(21-25-55(102)103)66(115)86-43(18-22-52(96)97)61(110)81-36(5)59(108)82-44(19-23-53(98)99)67(116)92-50(72(121)122)32-51(77)95/h14-17,34-36,39-50,58,94H,6-13,18-33,74-76H2,1-5H3,(H2,77,95)(H,81,110)(H,82,108)(H,83,112)(H,84,114)(H,85,117)(H,86,115)(H,87,111)(H,88,118)(H,89,109)(H,90,113)(H,91,120)(H,92,116)(H,93,119)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,121,122)(H4,78,79,80)/t36-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,58-/m0/s1

InChIKey

MSVBGATTYNQDOZ-JSZLBQJZSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133913