Nl6-r11a

Structural Information

Molecular Formula

C₆₈H₁₀₁N₁₅O₁₄

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](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N)N)O

InChI

InChI=1S/C68H101N15O14/c1-36(2)28-51(63(92)75-39(7)59(88)73-35-56(86)74-40(8)60(89)78-50(58(71)87)33-45-34-72-48-21-15-14-20-47(45)48)80-62(91)49(22-16-17-27-69)77-64(93)52(29-37(3)4)81-65(94)53(30-38(5)6)82-67(96)55(31-43-18-12-11-13-19-43)83-66(95)54(32-44-23-25-46(85)26-24-44)79-61(90)41(9)76-68(97)57(70)42(10)84/h11-15,18-21,23-26,34,36-42,49-55,57,72,84-85H,16-17,22,27-33,35,69-70H2,1-10H3,(H2,71,87)(H,73,88)(H,74,86)(H,75,92)(H,76,97)(H,77,93)(H,78,89)(H,79,90)(H,80,91)(H,81,94)(H,82,96)(H,83,95)/t39-,40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,57-/m0/s1

InChIKey

KTVIIQOOHXTRMH-AOLDKJKESA-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-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide

Related CIDs

• CID 11845226