Tat 36-50 (44)

Structural Information

Molecular Formula

C₇₅H₁₂₄N₂₀O₂₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C75H124N20O21S/c1-10-40(6)58(71(112)91-53(35-96)67(108)88-51(33-45-24-26-46(100)27-25-45)62(103)82-34-56(101)84-47(23-18-30-81-75(79)80)64(105)86-49(74(115)116)22-15-17-29-77)93-68(109)54(36-97)90-65(106)50(31-38(2)3)87-61(102)41(7)83-63(104)48(21-14-16-28-76)85-72(113)59(42(8)98)95-73(114)60(43(9)99)94-66(107)52(32-44-19-12-11-13-20-44)89-69(110)55(37-117)92-70(111)57(78)39(4)5/h11-13,19-20,24-27,38-43,47-55,57-60,96-100,117H,10,14-18,21-23,28-37,76-78H2,1-9H3,(H,82,103)(H,83,104)(H,84,101)(H,85,113)(H,86,105)(H,87,102)(H,88,108)(H,89,110)(H,90,106)(H,91,112)(H,92,111)(H,93,109)(H,94,107)(H,95,114)(H,115,116)(H4,79,80,81)/t40-,41-,42+,43+,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-,58-,59-,60-/m0/s1

InChIKey

QVBFISHOFZDICH-VFMRBJPISA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Related CIDs

• CID 25081086