(2s)-n-{4-[(2s)-2-((2s)-2-{(2s)-3-hydroxy-2-[(phenylmethoxy)carbonylamino]propanoylamino}propanoylamino)-3-methylbutanoylamino](1s,4s,2r,3r)-2,3-dihydroxy-5-phenyl-1-benzylpentyl}-2-((2s)-2-{(2s)-3-hydroxy-2-[(phenylmethoxy)carbonylamino]propanoylamino}propanoylamino)-3-methylbutanamide

Structural Information

Molecular Formula

C₅₆H₇₄N₈O₁₄

SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OCC3=CC=CC=C3)O)O)NC(=O)[C@H](CO)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C56H74N8O14/c1-33(2)45(63-49(69)35(5)57-51(71)43(29-65)61-55(75)77-31-39-23-15-9-16-24-39)53(73)59-41(27-37-19-11-7-12-20-37)47(67)48(68)42(28-38-21-13-8-14-22-38)60-54(74)46(34(3)4)64-50(70)36(6)58-52(72)44(30-66)62-56(76)78-32-40-25-17-10-18-26-40/h7-26,33-36,41-48,65-68H,27-32H2,1-6H3,(H,57,71)(H,58,72)(H,59,73)(H,60,74)(H,61,75)(H,62,76)(H,63,69)(H,64,70)/t35-,36-,41-,42-,43-,44-,45-,46-,47+,48+/m0/s1

InChIKey

LDIZQESIXSCZHU-QTVRITCNSA-N

Compound name

benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate

Related CIDs

• CID 5482382