Sdaqkpfvnl

Structural Information

Molecular Formula

C₅₀H₇₉N₁₃O₁₆

SMILES

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

InChI

InChI=1S/C50H79N13O16/c1-25(2)20-35(50(78)79)61-45(73)33(22-38(54)66)60-48(76)40(26(3)4)62-46(74)32(21-28-12-7-6-8-13-28)59-47(75)36-15-11-19-63(36)49(77)31(14-9-10-18-51)57-43(71)30(16-17-37(53)65)56-41(69)27(5)55-44(72)34(23-39(67)68)58-42(70)29(52)24-64/h6-8,12-13,25-27,29-36,40,64H,9-11,14-24,51-52H2,1-5H3,(H2,53,65)(H2,54,66)(H,55,72)(H,56,69)(H,57,71)(H,58,70)(H,59,75)(H,60,76)(H,61,73)(H,62,74)(H,67,68)(H,78,79)/t27-,29-,30-,31-,32-,33-,34-,35-,36-,40-/m0/s1

InChIKey

FVRNCHZKRGVQCV-MWHZAZASSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71588557