Cd4 83-92 derivative

Structural Information

Molecular Formula

C₅₉H₈₈N₁₂O₂₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C59H88N12O20S/c1-6-31(4)49(71-54(85)40(68-56(87)47(62)32(5)72)26-33-15-17-35(73)18-16-33)58(89)69-42(29-92-28-34-12-8-7-9-13-34)55(86)64-38(21-24-45(77)78)52(83)70-48(30(2)3)57(88)65-37(20-23-44(75)76)51(82)67-41(27-46(79)80)53(84)63-36(19-22-43(61)74)50(81)66-39(59(90)91)14-10-11-25-60/h7-9,12-13,15-18,30-32,36-42,47-49,72-73H,6,10-11,14,19-29,60,62H2,1-5H3,(H2,61,74)(H,63,84)(H,64,86)(H,65,88)(H,66,81)(H,67,82)(H,68,87)(H,69,89)(H,70,83)(H,71,85)(H,75,76)(H,77,78)(H,79,80)(H,90,91)/t31-,32+,36-,37-,38-,39-,40-,41-,42-,47-,48-,49-/m0/s1

InChIKey

CYSZRTRJXPHFQW-NSAODZCISA-N

Compound name

(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-benzylsulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid

Related CIDs

• CID 465900