Chembl374671

Structural Information

Molecular Formula

C₆₆H₁₀₉N₁₇O₁₄

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](CC2=CC=CC=C2)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](CC(C)C)C(=O)N)N)O

InChI

InChI=1S/C66H109N17O14/c1-35(2)28-47(55(69)87)78-58(90)45(21-17-27-72-66(70)71)76-53(86)34-73-56(88)39(9)74-60(92)48(29-36(3)4)80-59(91)46(20-15-16-26-67)77-61(93)49(30-37(5)6)81-62(94)50(31-38(7)8)82-64(96)52(32-42-18-13-12-14-19-42)83-63(95)51(33-43-22-24-44(85)25-23-43)79-57(89)40(10)75-65(97)54(68)41(11)84/h12-14,18-19,22-25,35-41,45-52,54,84-85H,15-17,20-21,26-34,67-68H2,1-11H3,(H2,69,87)(H,73,88)(H,74,92)(H,75,97)(H,76,86)(H,77,93)(H,78,90)(H,79,89)(H,80,91)(H,81,94)(H,82,96)(H,83,95)(H4,70,71,72)/t39-,40-,41+,45-,46-,47-,48-,49-,50-,51-,52-,54-/m0/s1

InChIKey

FNFZQQODQFFMFA-FKBYJHNVSA-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]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-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 11845757