Nl6-t1a

Structural Information

Molecular Formula

C₇₀H₁₀₆N₁₈O₁₃

SMILES

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

InChI

InChI=1S/C70H106N18O13/c1-38(2)30-53(65(97)80-42(8)61(93)78-37-58(90)81-50(23-17-29-76-70(74)75)63(95)83-52(59(73)91)35-46-36-77-49-21-14-13-20-48(46)49)85-64(96)51(22-15-16-28-71)82-66(98)54(31-39(3)4)86-67(99)55(32-40(5)6)87-69(101)57(33-44-18-11-10-12-19-44)88-68(100)56(34-45-24-26-47(89)27-25-45)84-62(94)43(9)79-60(92)41(7)72/h10-14,18-21,24-27,36,38-43,50-57,77,89H,15-17,22-23,28-35,37,71-72H2,1-9H3,(H2,73,91)(H,78,93)(H,79,92)(H,80,97)(H,81,90)(H,82,98)(H,83,95)(H,84,94)(H,85,96)(H,86,99)(H,87,101)(H,88,100)(H4,74,75,76)/t41-,42-,43-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1

InChIKey

CFZNOEWFOBWZPW-LHMIVORLSA-N

Compound name

(2S)-6-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]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanamide

Related CIDs

• CID 25084607