Tcrvdhraltf

Structural Information

Molecular Formula

C₅₆H₉₁N₁₉O₁₆S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N)O

InChI

InChI=1S/C56H91N19O16S/c1-26(2)19-35(49(85)75-43(30(7)77)53(89)72-38(54(90)91)20-31-13-9-8-10-14-31)69-44(80)28(5)66-45(81)33(15-11-17-63-55(58)59)67-47(83)36(21-32-23-62-25-65-32)70-48(84)37(22-40(78)79)71-52(88)42(27(3)4)74-46(82)34(16-12-18-64-56(60)61)68-50(86)39(24-92)73-51(87)41(57)29(6)76/h8-10,13-14,23,25-30,33-39,41-43,76-77,92H,11-12,15-22,24,57H2,1-7H3,(H,62,65)(H,66,81)(H,67,83)(H,68,86)(H,69,80)(H,70,84)(H,71,88)(H,72,89)(H,73,87)(H,74,82)(H,75,85)(H,78,79)(H,90,91)(H4,58,59,63)(H4,60,61,64)/t28-,29+,30+,33-,34-,35-,36-,37-,38-,39-,41-,42-,43-/m0/s1

InChIKey

RHZMNEXDUSOHTL-PIJAPVDRSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 71598176