Dnajp1

Structural Information

Molecular Formula

C₇₈H₁₁₁N₂₃O₂₄

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C78H111N23O24/c1-39(91-70(117)51(14-10-30-86-78(83)84)95-71(118)50(13-8-9-29-79)94-68(115)49(80)23-26-59(81)104)64(111)89-42(4)67(114)99-56(33-45-17-21-48(103)22-18-45)75(122)101-58(35-63(109)110)76(123)96-52(24-27-60(82)105)72(119)100-54(32-44-15-19-47(102)20-16-44)69(116)87-37-61(106)93-57(34-46-36-85-38-88-46)73(120)92-40(2)65(112)90-41(3)66(113)98-55(31-43-11-6-5-7-12-43)74(121)97-53(77(124)125)25-28-62(107)108/h5-7,11-12,15-22,36,38-42,49-58,102-103H,8-10,13-14,23-35,37,79-80H2,1-4H3,(H2,81,104)(H2,82,105)(H,85,88)(H,87,116)(H,89,111)(H,90,112)(H,91,117)(H,92,120)(H,93,106)(H,94,115)(H,95,118)(H,96,123)(H,97,121)(H,98,113)(H,99,114)(H,100,119)(H,101,122)(H,107,108)(H,109,110)(H,124,125)(H4,83,84,86)/t39-,40-,41-,42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

CPLZPRMSVOUCIQ-FHSOKALMSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid

Related CIDs

• CID 16141649