Nl6-g10a

Structural Information

Molecular Formula

C₇₂H₁₁₀N₁₈O₁₄

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

InChI

InChI=1S/C72H110N18O14/c1-38(2)31-54(66(99)81-41(7)61(94)80-42(8)62(95)83-52(24-18-30-78-72(76)77)64(97)85-53(60(75)93)36-47-37-79-50-22-15-14-21-49(47)50)87-65(98)51(23-16-17-29-73)84-67(100)55(32-39(3)4)88-68(101)56(33-40(5)6)89-70(103)58(34-45-19-12-11-13-20-45)90-69(102)57(35-46-25-27-48(92)28-26-46)86-63(96)43(9)82-71(104)59(74)44(10)91/h11-15,19-22,25-28,37-44,51-59,79,91-92H,16-18,23-24,29-36,73-74H2,1-10H3,(H2,75,93)(H,80,94)(H,81,99)(H,82,104)(H,83,95)(H,84,100)(H,85,97)(H,86,96)(H,87,98)(H,88,101)(H,89,103)(H,90,102)(H4,76,77,78)/t41-,42-,43-,44+,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1

InChIKey

NIGMZYNKKGINRE-UOLBIDDCSA-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-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide

Related CIDs

• CID 25081106