Ranatuerin-6

Structural Information

Molecular Formula

C₆₇H₁₀₉N₁₅O₁₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C67H109N15O15S/c1-12-39(7)54(81-58(88)42(10)72-64(94)51(35-83)80-67(97)55(40(8)13-2)82-59(89)45(69)32-43-22-16-14-17-23-43)66(96)73-41(9)57(87)79-52(36-84)65(95)75-47(27-29-98-11)62(92)77-49(31-38(5)6)60(90)71-34-53(85)74-46(26-20-21-28-68)61(91)78-50(33-44-24-18-15-19-25-44)63(93)76-48(56(70)86)30-37(3)4/h14-19,22-25,37-42,45-52,54-55,83-84H,12-13,20-21,26-36,68-69H2,1-11H3,(H2,70,86)(H,71,90)(H,72,94)(H,73,96)(H,74,85)(H,75,95)(H,76,93)(H,77,92)(H,78,91)(H,79,87)(H,80,97)(H,81,88)(H,82,89)/t39-,40-,41-,42-,45-,46-,47-,48-,49-,50-,51-,52-,54-,55-/m0/s1

InChIKey

SXUDAOJRHYLPNH-HCYLHJIASA-N

Compound name

(2S)-6-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanamide

Related CIDs

• CID 6482971