Schembl30259452

Structural Information

Molecular Formula

C₅₃H₈₂N₂₀O₁₂

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C53H82N20O12/c1-26(2)41(73-48(82)37(22-29-15-17-31(74)18-16-29)70-42(76)27(3)66-44(78)33(54)11-7-19-62-51(56)57)49(83)67-28(4)43(77)71-38(23-30-25-65-34-12-6-5-10-32(30)34)46(80)68-35(13-8-20-63-52(58)59)45(79)72-39(24-40(55)75)47(81)69-36(50(84)85)14-9-21-64-53(60)61/h5-6,10,12,15-18,25-28,33,35-39,41,65,74H,7-9,11,13-14,19-24,54H2,1-4H3,(H2,55,75)(H,66,78)(H,67,83)(H,68,80)(H,69,81)(H,70,76)(H,71,77)(H,72,79)(H,73,82)(H,84,85)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t27-,28-,33-,35-,36-,37-,38-,39-,41-/m0/s1

InChIKey

LLGYBZHMOFOOST-HMXGNOBHSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 460901