Nl6-y3a

Structural Information

Molecular Formula

C₆₅H₁₀₄N₁₈O₁₃

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N)N)O

InChI

InChI=1S/C65H104N18O13/c1-34(2)27-48(60(92)75-37(7)55(87)73-33-52(85)77-45(24-18-26-71-65(69)70)58(90)79-47(54(68)86)31-42-32-72-44-22-15-14-21-43(42)44)81-59(91)46(23-16-17-25-66)78-61(93)49(28-35(3)4)82-62(94)50(29-36(5)6)83-63(95)51(30-41-19-12-11-13-20-41)80-57(89)39(9)74-56(88)38(8)76-64(96)53(67)40(10)84/h11-15,19-22,32,34-40,45-51,53,72,84H,16-18,23-31,33,66-67H2,1-10H3,(H2,68,86)(H,73,87)(H,74,88)(H,75,92)(H,76,96)(H,77,85)(H,78,93)(H,79,90)(H,80,89)(H,81,91)(H,82,94)(H,83,95)(H4,69,70,71)/t37-,38-,39-,40+,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1

InChIKey

WXDCDINDDGNQPU-CXPLTZPNSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide

Related CIDs

• CID 11847586