Nl6-f4a

Structural Information

Molecular Formula

C₆₅H₁₀₄N₁₈O₁₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)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/C65H104N18O14/c1-33(2)26-48(60(93)74-36(7)55(88)73-32-52(86)77-45(19-15-25-71-65(69)70)58(91)79-47(54(68)87)30-41-31-72-44-17-12-11-16-43(41)44)82-59(92)46(18-13-14-24-66)78-62(95)50(28-35(5)6)83-63(96)49(27-34(3)4)80-56(89)37(8)75-61(94)51(29-40-20-22-42(85)23-21-40)81-57(90)38(9)76-64(97)53(67)39(10)84/h11-12,16-17,20-23,31,33-39,45-51,53,72,84-85H,13-15,18-19,24-30,32,66-67H2,1-10H3,(H2,68,87)(H,73,88)(H,74,93)(H,75,94)(H,76,97)(H,77,86)(H,78,95)(H,79,91)(H,80,89)(H,81,90)(H,82,92)(H,83,96)(H4,69,70,71)/t36-,37-,38-,39+,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1

InChIKey

DEHFRGDABXNFMG-SYFDEPNRSA-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]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]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 11846295