Nh2-phe-lys-his-thr-asp-ala-cys-cys-arg-oh

Structural Information

Molecular Formula

C₄₄H₆₉N₁₅O₁₃S₂

SMILES

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

InChI

InChI=1S/C44H69N15O13S2/c1-22(35(63)57-31(19-73)41(69)58-32(20-74)40(68)54-28(43(71)72)12-8-14-50-44(47)48)52-38(66)30(17-33(61)62)56-42(70)34(23(2)60)59-39(67)29(16-25-18-49-21-51-25)55-37(65)27(11-6-7-13-45)53-36(64)26(46)15-24-9-4-3-5-10-24/h3-5,9-10,18,21-23,26-32,34,60,73-74H,6-8,11-17,19-20,45-46H2,1-2H3,(H,49,51)(H,52,66)(H,53,64)(H,54,68)(H,55,65)(H,56,70)(H,57,63)(H,58,69)(H,59,67)(H,61,62)(H,71,72)(H4,47,48,50)/t22-,23+,26-,27-,28-,29-,30-,31-,32-,34-/m0/s1

InChIKey

WQKUSRHUYQXMJR-WMGMBVMGSA-N

Compound name

(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 5482467