Chembl263689

Structural Information

Molecular Formula

C₆₂H₉₆N₁₆O₁₀

SMILES

C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)N

InChI

InChI=1S/C62H96N16O10/c1-36(2)29-49(59(85)76-50(30-37(3)4)60(86)77-51(32-40-34-69-45-20-9-7-18-42(40)45)61(87)72-46(54(67)80)21-10-13-25-63)75-58(84)48(23-12-15-27-65)73-55(81)38(5)71-62(88)52-24-16-28-78(52)53(79)35-70-57(83)47(22-11-14-26-64)74-56(82)43(66)31-39-33-68-44-19-8-6-17-41(39)44/h6-9,17-20,33-34,36-38,43,46-52,68-69H,10-16,21-32,35,63-66H2,1-5H3,(H2,67,80)(H,70,83)(H,71,88)(H,72,87)(H,73,81)(H,74,82)(H,75,84)(H,76,85)(H,77,86)/t38-,43-,46-,47-,48-,49-,50-,51-,52-/m0/s1

InChIKey

MOLMPQXPRDBPIU-LNYCCRNOSA-N

Compound name

(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 11847436