D-[nh2-ile-asn-his]-l-pro-d-[val-phe-glu-phe-oh]

Structural Information

Molecular Formula

C₄₉H₆₇N₁₁O₁₂

SMILES

CC[C@@H](C)[C@H](C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)O)N

InChI

InChI=1S/C49H67N11O12/c1-5-28(4)40(51)46(68)55-34(24-38(50)61)44(66)57-35(23-31-25-52-26-53-31)48(70)60-20-12-17-37(60)45(67)59-41(27(2)3)47(69)56-33(21-29-13-8-6-9-14-29)43(65)54-32(18-19-39(62)63)42(64)58-36(49(71)72)22-30-15-10-7-11-16-30/h6-11,13-16,25-28,32-37,40-41H,5,12,17-24,51H2,1-4H3,(H2,50,61)(H,52,53)(H,54,65)(H,55,68)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,62,63)(H,71,72)/t28-,32-,33-,34-,35-,36-,37+,40-,41-/m1/s1

InChIKey

UJWNJGRQMDZOFR-MLCDBFSLSA-N

Compound name

(4R)-4-[[(2R)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-[[(2R)-4-amino-2-[[(2R,3R)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(1R)-1-carboxy-2-phenylethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5279572