Phe-leu-arg-glu-asp-leu-ala-phe

Structural Information

Molecular Formula

C₄₈H₇₁N₁₁O₁₃

SMILES

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

InChI

InChI=1S/C48H71N11O13/c1-26(2)21-34(44(68)53-28(5)40(64)59-37(47(71)72)24-30-15-10-7-11-16-30)57-46(70)36(25-39(62)63)58-43(67)33(18-19-38(60)61)55-42(66)32(17-12-20-52-48(50)51)54-45(69)35(22-27(3)4)56-41(65)31(49)23-29-13-8-6-9-14-29/h6-11,13-16,26-28,31-37H,12,17-25,49H2,1-5H3,(H,53,68)(H,54,69)(H,55,66)(H,56,65)(H,57,70)(H,58,67)(H,59,64)(H,60,61)(H,62,63)(H,71,72)(H4,50,51,52)/t28-,31-,32-,33-,34-,35-,36-,37-/m0/s1

InChIKey

RNRIAUCTWLOMKF-RPXHOIECSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5481222