Vsfn(phe-sta)qitl

Structural Information

Molecular Formula

C₅₉H₉₂N₁₂O₁₆

SMILES

CC[C@@H](C)[C@@H](C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)C[C@@H]([C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CO)NC(=O)[C@@H](C(C)C)N)O

InChI

InChI=1S/C59H92N12O16/c1-10-33(8)49(57(84)71-50(34(9)73)58(85)68-42(59(86)87)24-31(4)5)70-51(78)37(21-22-45(60)75)63-47(77)28-44(74)38(23-30(2)3)64-52(79)39(25-35-17-13-11-14-18-35)65-54(81)41(27-46(61)76)67-53(80)40(26-36-19-15-12-16-20-36)66-55(82)43(29-72)69-56(83)48(62)32(6)7/h11-20,30-34,37-44,48-50,72-74H,10,21-29,62H2,1-9H3,(H2,60,75)(H2,61,76)(H,63,77)(H,64,79)(H,65,81)(H,66,82)(H,67,80)(H,68,85)(H,69,83)(H,70,78)(H,71,84)(H,86,87)/t33-,34+,37+,38-,39-,40+,41+,42-,43-,44+,48-,49+,50+/m1/s1

InChIKey

KUQXDLKMNILZSQ-KBNQYVQKSA-N

Compound name

(2R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(3S,4R)-4-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 472200