T11f

Structural Information

Molecular Formula

C₅₅H₈₉N₁₉O₁₆S

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)NCC(=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/C55H89N19O16S/c1-26(2)18-34(48(84)74-43(29(6)76)52(88)71-37(53(89)90)19-30-12-8-7-9-13-30)66-39(77)23-64-44(80)32(14-10-16-62-54(57)58)67-46(82)35(20-31-22-61-25-65-31)69-47(83)36(21-40(78)79)70-51(87)42(27(3)4)73-45(81)33(15-11-17-63-55(59)60)68-49(85)38(24-91)72-50(86)41(56)28(5)75/h7-9,12-13,22,25-29,32-38,41-43,75-76,91H,10-11,14-21,23-24,56H2,1-6H3,(H,61,65)(H,64,80)(H,66,77)(H,67,82)(H,68,85)(H,69,83)(H,70,87)(H,71,88)(H,72,86)(H,73,81)(H,74,84)(H,78,79)(H,89,90)(H4,57,58,62)(H4,59,60,63)/t28-,29-,32+,33+,34+,35+,36+,37+,38+,41+,42+,43+/m1/s1

InChIKey

WXRRRMMBRIOSJL-CAAQPRIESA-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-[[2-[[(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]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 71597988