Tyrocidine a, 3-l-phenylalanine-

Structural Information

Molecular Formula

C₆₆H₈₇N₁₃O₁₂

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=C)C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC4=CC=CC=C4)C=O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C66H87N13O12/c1-40(2)33-50(74-59(84)48(27-17-31-67)73-65(90)57(41(3)4)78-63(88)52(36-44-23-13-7-14-24-44)75-60(85)49(29-30-55(69)81)72-58(83)47(68)38-56(70)82)62(87)77-53(37-45-25-15-8-16-26-45)66(91)79-32-18-28-54(79)64(89)76-51(35-43-21-11-6-12-22-43)61(86)71-46(39-80)34-42-19-9-5-10-20-42/h5-16,19-26,39,41,46-54,57H,1,17-18,27-38,67-68H2,2-4H3,(H2,69,81)(H2,70,82)(H,71,86)(H,72,83)(H,73,90)(H,74,84)(H,75,85)(H,76,89)(H,77,87)(H,78,88)/t46-,47+,48+,49+,50+,51+,52+,53-,54+,57+/m1/s1

InChIKey

WCWFGDTXGMYOMY-RENPOXANSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-methyl-1-oxo-1-[[(2R)-1-oxo-1-[(2S)-2-[[(2S)-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]amino]pent-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanediamide

Related CIDs

• CID 16131442