Hiv-ma nls

Structural Information

Molecular Formula

C₅₆H₉₈N₁₈O₁₁S

SMILES

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

InChI

InChI=1S/C56H98N18O11S/c1-34(2)27-43(54(83)69-42(17-7-12-26-61)53(82)73-45(29-36-31-64-33-65-36)56(85)74-46(32-86)48(63)77)71-51(80)41(16-6-11-25-60)70-55(84)44(28-35-18-20-37(75)21-19-35)72-52(81)40(15-5-10-24-59)68-50(79)39(14-4-9-23-58)67-49(78)38(13-3-8-22-57)66-47(76)30-62/h18-21,31,33-34,38-46,75,86H,3-17,22-30,32,57-62H2,1-2H3,(H2,63,77)(H,64,65)(H,66,76)(H,67,78)(H,68,79)(H,69,83)(H,70,84)(H,71,80)(H,72,81)(H,73,82)(H,74,85)/t38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1

InChIKey

BROHKHAOSLVARU-DXYQMANYSA-N

Compound name

(2S)-6-amino-2-[(2-aminoacetyl)amino]-N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]hexanamide

Related CIDs

• CID 480167