Kgatyityvnflne

Structural Information

Molecular Formula

C₇₆H₁₁₃N₁₇O₂₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C76H113N17O23/c1-10-39(6)61(91-71(110)53(33-45-21-25-47(97)26-22-45)88-74(113)62(41(8)94)92-64(103)40(7)82-58(100)36-81-65(104)48(78)18-14-15-29-77)73(112)93-63(42(9)95)75(114)87-52(32-44-19-23-46(96)24-20-44)70(109)90-60(38(4)5)72(111)89-55(35-57(80)99)69(108)85-51(31-43-16-12-11-13-17-43)67(106)84-50(30-37(2)3)66(105)86-54(34-56(79)98)68(107)83-49(76(115)116)27-28-59(101)102/h11-13,16-17,19-26,37-42,48-55,60-63,94-97H,10,14-15,18,27-36,77-78H2,1-9H3,(H2,79,98)(H2,80,99)(H,81,104)(H,82,100)(H,83,107)(H,84,106)(H,85,108)(H,86,105)(H,87,114)(H,88,113)(H,89,111)(H,90,109)(H,91,110)(H,92,103)(H,93,112)(H,101,102)(H,115,116)/t39-,40-,41+,42+,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-,62-,63-/m0/s1

InChIKey

BXJCHIAYIGSYFU-QYWCHORMSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130221