Higpgrafyttkn

Structural Information

Molecular Formula

C₆₆H₁₀₀N₂₀O₁₈

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC4=CN=CN4)N

InChI

InChI=1S/C66H100N20O18/c1-6-34(2)52(83-56(94)42(68)28-40-30-72-33-76-40)62(100)75-32-51(92)86-25-13-18-48(86)61(99)74-31-50(91)78-43(17-12-24-73-66(70)71)57(95)77-35(3)55(93)80-45(26-38-14-8-7-9-15-38)59(97)81-46(27-39-19-21-41(89)22-20-39)60(98)84-54(37(5)88)64(102)85-53(36(4)87)63(101)79-44(16-10-11-23-67)58(96)82-47(65(103)104)29-49(69)90/h7-9,14-15,19-22,30,33-37,42-48,52-54,87-89H,6,10-13,16-18,23-29,31-32,67-68H2,1-5H3,(H2,69,90)(H,72,76)(H,74,99)(H,75,100)(H,77,95)(H,78,91)(H,79,101)(H,80,93)(H,81,97)(H,82,96)(H,83,94)(H,84,98)(H,85,102)(H,103,104)(H4,70,71,73)/t34-,35-,36+,37+,42-,43-,44-,45-,46-,47-,48-,52-,53-,54-/m0/s1

InChIKey

QHNFXVQJWQNZQC-POFQANBLSA-N

Compound name

(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 25078053