Nl6-l6a

Structural Information

Molecular Formula

C₆₈H₁₀₂N₁₈O₁₄

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](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)O

InChI

InChI=1S/C68H102N18O14/c1-36(2)29-51(63(96)77-38(5)58(91)76-35-55(89)80-48(22-16-28-74-68(72)73)61(94)82-50(57(71)90)33-44-34-75-47-20-13-12-19-46(44)47)84-62(95)49(21-14-15-27-69)81-59(92)39(6)78-64(97)52(30-37(3)4)85-66(99)54(31-42-17-10-9-11-18-42)86-65(98)53(32-43-23-25-45(88)26-24-43)83-60(93)40(7)79-67(100)56(70)41(8)87/h9-13,17-20,23-26,34,36-41,48-54,56,75,87-88H,14-16,21-22,27-33,35,69-70H2,1-8H3,(H2,71,90)(H,76,91)(H,77,96)(H,78,97)(H,79,100)(H,80,89)(H,81,92)(H,82,94)(H,83,93)(H,84,95)(H,85,99)(H,86,98)(H4,72,73,74)/t38-,39-,40-,41+,48-,49-,50-,51-,52-,53-,54-,56-/m0/s1

InChIKey

HTVALHWAJZBUMA-OYZRLRPPSA-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]propanoyl]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 25081098