Hciyattndalifsv

Structural Information

Molecular Formula

C₇₅H₁₁₄N₁₈O₂₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CS)NC(=O)[C@H](CC3=CN=CN3)N

InChI

InChI=1S/C75H114N18O23S/c1-13-36(7)57(71(111)85-49(25-42-18-16-15-17-19-42)66(106)87-52(31-94)69(109)89-56(35(5)6)75(115)116)90-68(108)47(24-34(3)4)82-61(101)38(9)80-65(105)51(29-55(99)100)83-67(107)50(28-54(77)98)86-73(113)59(40(11)95)93-74(114)60(41(12)96)92-62(102)39(10)81-64(104)48(26-43-20-22-45(97)23-21-43)84-72(112)58(37(8)14-2)91-70(110)53(32-117)88-63(103)46(76)27-44-30-78-33-79-44/h15-23,30,33-41,46-53,56-60,94-97,117H,13-14,24-29,31-32,76H2,1-12H3,(H2,77,98)(H,78,79)(H,80,105)(H,81,104)(H,82,101)(H,83,107)(H,84,112)(H,85,111)(H,86,113)(H,87,106)(H,88,103)(H,89,109)(H,90,108)(H,91,110)(H,92,102)(H,93,114)(H,99,100)(H,115,116)/t36-,37-,38-,39-,40+,41+,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-,58-,59-,60-/m0/s1

InChIKey

VQZBLMFOCWWBRF-MDTHBTRSSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 71596998