Tarvdhrgltf

Structural Information

Molecular Formula

C₅₅H₈₉N₁₉O₁₆

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)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/C55H89N19O16/c1-26(2)19-35(49(85)74-43(30(7)76)52(88)72-38(53(89)90)20-31-13-9-8-10-14-31)67-39(77)24-64-45(81)33(15-11-17-62-54(57)58)69-47(83)36(21-32-23-61-25-65-32)70-48(84)37(22-40(78)79)71-51(87)42(27(3)4)73-46(82)34(16-12-18-63-55(59)60)68-44(80)28(5)66-50(86)41(56)29(6)75/h8-10,13-14,23,25-30,33-38,41-43,75-76H,11-12,15-22,24,56H2,1-7H3,(H,61,65)(H,64,81)(H,66,86)(H,67,77)(H,68,80)(H,69,83)(H,70,84)(H,71,87)(H,72,88)(H,73,82)(H,74,85)(H,78,79)(H,89,90)(H4,57,58,62)(H4,59,60,63)/t28-,29+,30+,33-,34-,35-,36-,37-,38-,41-,42-,43-/m0/s1

InChIKey

GVNJRISDUOCDLV-CKOMZNLSSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]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 71598071