Dtgammae

Structural Information

Molecular Formula

C₇₄H₁₂₂N₁₈O₂₅S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CN)O

InChI

InChI=1S/C74H122N18O25S/c1-36(2)29-47(66(108)88-57(38(5)6)70(112)90-59(40(8)96)71(113)85-49(74(116)117)30-37(3)4)84-69(111)52-20-16-27-92(52)73(115)60(41(9)97)91-63(105)44(21-23-53(77)98)81-67(109)50(34-93)86-61(103)43(19-14-15-26-75)80-62(104)45(22-24-56(101)102)82-68(110)51(35-94)87-72(114)58(39(7)95)89-64(106)46(25-28-118-10)83-65(107)48(31-42-17-12-11-13-18-42)79-55(100)33-78-54(99)32-76/h11-13,17-18,36-41,43-52,57-60,93-97H,14-16,19-35,75-76H2,1-10H3,(H2,77,98)(H,78,99)(H,79,100)(H,80,104)(H,81,109)(H,82,110)(H,83,107)(H,84,111)(H,85,113)(H,86,103)(H,87,114)(H,88,108)(H,89,106)(H,90,112)(H,91,105)(H,101,102)(H,116,117)/t39-,40-,41-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,57+,58+,59+,60+/m1/s1

InChIKey

YQEWLSJJOSZFHG-DSFKZNPVSA-N

Compound name

(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 3035192