Tat 36-50 (41/46)

Structural Information

Molecular Formula

C₇₁H₁₁₅N₁₉O₁₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)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)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)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/C71H115N19O19S/c1-12-37(6)55(67(105)80-40(9)60(98)85-49(31-44-23-25-45(93)26-24-44)62(100)77-32-52(94)82-46(22-18-28-76-71(74)75)63(101)83-47(70(108)109)21-16-17-27-72)88-53(95)33-78-61(99)48(29-35(2)3)84-59(97)39(8)79-58(96)38(7)81-68(106)56(41(10)91)90-69(107)57(42(11)92)89-64(102)50(30-43-19-14-13-15-20-43)86-65(103)51(34-110)87-66(104)54(73)36(4)5/h13-15,19-20,23-26,35-42,46-51,54-57,91-93,110H,12,16-18,21-22,27-34,72-73H2,1-11H3,(H,77,100)(H,78,99)(H,79,96)(H,80,105)(H,81,106)(H,82,94)(H,83,101)(H,84,97)(H,85,98)(H,86,103)(H,87,104)(H,88,95)(H,89,102)(H,90,107)(H,108,109)(H4,74,75,76)/t37-,38-,39-,40-,41+,42+,46-,47-,48-,49-,50-,51-,54-,55-,56-,57-/m0/s1

InChIKey

FFSQEBHZOVUVAC-PXWDOHARSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-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]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Related CIDs

• CID 25081089