Tat 36-50 (41/44)

Structural Information

Molecular Formula

C₇₂H₁₁₇N₁₉O₂₁S

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](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/C72H117N19O21S/c1-11-37(6)55(68(108)87-50(32-92)64(104)84-48(30-43-22-24-44(96)25-23-43)60(100)78-31-53(97)81-45(21-17-27-77-72(75)76)61(101)82-46(71(111)112)20-15-16-26-73)89-65(105)51(33-93)86-62(102)47(28-35(2)3)83-59(99)39(8)79-58(98)38(7)80-69(109)56(40(9)94)91-70(110)57(41(10)95)90-63(103)49(29-42-18-13-12-14-19-42)85-66(106)52(34-113)88-67(107)54(74)36(4)5/h12-14,18-19,22-25,35-41,45-52,54-57,92-96,113H,11,15-17,20-21,26-34,73-74H2,1-10H3,(H,78,100)(H,79,98)(H,80,109)(H,81,97)(H,82,101)(H,83,99)(H,84,104)(H,85,106)(H,86,102)(H,87,108)(H,88,107)(H,89,105)(H,90,103)(H,91,110)(H,111,112)(H4,75,76,77)/t37-,38-,39-,40+,41+,45-,46-,47-,48-,49-,50-,51-,52-,54-,55-,56-,57-/m0/s1

InChIKey

KYTONTWAMUDASN-BDWGUQRNSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-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]-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 25081088