Nh2-lys-gln-thr-glu-asn-leu-ala-asp-thr-tyr-cooh

Structural Information

Molecular Formula

C₅₀H₇₉N₁₃O₂₀

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C50H79N13O20/c1-22(2)18-31(45(77)55-23(3)41(73)58-33(21-38(71)72)47(79)63-40(25(5)65)49(81)61-34(50(82)83)19-26-9-11-27(66)12-10-26)59-46(78)32(20-36(54)68)60-43(75)30(14-16-37(69)70)57-48(80)39(24(4)64)62-44(76)29(13-15-35(53)67)56-42(74)28(52)8-6-7-17-51/h9-12,22-25,28-34,39-40,64-66H,6-8,13-21,51-52H2,1-5H3,(H2,53,67)(H2,54,68)(H,55,77)(H,56,74)(H,57,80)(H,58,73)(H,59,78)(H,60,75)(H,61,81)(H,62,76)(H,63,79)(H,69,70)(H,71,72)(H,82,83)/t23-,24+,25+,28-,29-,30-,31-,32-,33-,34-,39-,40-/m0/s1

InChIKey

OJDKOFDWEFUYHH-PJPCBWKISA-N

Compound name

(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 6320283