Kkkkvvapfyvlv

Structural Information

Molecular Formula

C₇₆H₁₂₇N₁₇O₁₅

SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C76H127N17O15/c1-43(2)40-56(69(100)92-63(47(9)10)76(107)108)88-73(104)61(45(5)6)90-70(101)58(42-50-31-33-51(94)34-32-50)86-68(99)57(41-49-24-13-12-14-25-49)87-71(102)59-30-23-39-93(59)75(106)48(11)82-72(103)60(44(3)4)91-74(105)62(46(7)8)89-67(98)55(29-18-22-38-80)85-66(97)54(28-17-21-37-79)84-65(96)53(27-16-20-36-78)83-64(95)52(81)26-15-19-35-77/h12-14,24-25,31-34,43-48,52-63,94H,15-23,26-30,35-42,77-81H2,1-11H3,(H,82,103)(H,83,95)(H,84,96)(H,85,97)(H,86,99)(H,87,102)(H,88,104)(H,89,98)(H,90,101)(H,91,105)(H,92,100)(H,107,108)/t48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1

InChIKey

FUCOKZCTBKVLOC-WGSOMDQBSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16073021